SCHEMBL7871522

SCHEMBL7871522

COC(CCc1nc(-c2ccccc2)oc1C)c1ccc(C[C@@H]2SC(=O)NC2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 15/20 0.46
PPARA Q07869 10/20 0.46
FFAR1 O14842 5/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
KCNH2 Q12809 1/20 0.44
PPARD Q03181 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7871527 1.00 PPARG (0.46) PPARGPPARAFFAR1CYP3A4CYP2C9
SCHEMBL9286066 0.89 PPARG (0.47) PPARGPPARAFFAR1CYP3A4CYP2C9
SCHEMBL7879128 0.89 PPARG (0.47) PPARGPPARAFFAR1CYP3A4CYP2C9
SCHEMBL7877637 0.89 PPARG (0.47) PPARGPPARAFFAR1CYP3A4CYP2C9
SCHEMBL9274342 0.89 PPARG (0.47) PPARGPPARAFFAR1CYP3A4CYP2C9
SCHEMBL7877640 0.89 PPARG (0.47) PPARGPPARAFFAR1CYP3A4CYP2C9
SCHEMBL4283015 0.84 PPARG (0.63) PPARGPPARACYP3A4CYP2C9KCNH2
SCHEMBL170065 0.84 PPARG (0.63) PPARGPPARACYP3A4CYP2C9KCNH2
SCHEMBL9721218 0.84 PPARG (0.55) PPARGPPARA
Darglitazone SCHEMBL37497 0.82 PPARG (0.48) PPARGPPARAFFAR1CYP3A4CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329408-B1 HYPOCHOLESTEROLEMIC AGENTS; OPTICALLY PURE PFIZER INC. 2001-12-11 US disclosed