PCOs and hypothyroidism have many symptoms in common, such as “anovulation” i.e. menstruation without releasing an oocyte (egg cell). Some propose this is the cause of PCOs if anovulation is long term with its related low progesterone. Other symptoms the two conditions share are: insulin resistance, blood sugar problems leading to diabetes, high cholesterol levels, heavy periods, weight gain (obesity), hair loss and ovarian cyst. These two disorders are clinically associated. The aim of our research is to deliver the potential gene which is involved in both hypothyroidism and PCOs. In our drug designing study we use advanced cheminformatics software and tools for designing a combination of novel drug candidates which would act as a potential inhibitor for the SHBG target protein. We also analyzed the complete pharmacokinetic studies of the novel drug candidate. Hence, in future this drug would act as a potential therapeutic agent for patients affected by PCOs along with hypothyroidism.