SCHEMBL9274342

SCHEMBL9274342

Cc1oc(-c2ccccc2)nc1CC[C@@H](O)c1ccc(CC2SC(=O)NC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.47
PPARA Q07869 10/20 0.47
FFAR1 O14842 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
KCNH2 Q12809 1/20 0.42
PPARD Q03181 1/20 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
SCHEMBL9286066 1.00 PPARG (0.47) PPARGPPARAFFAR1CYP3A4CYP2C9
SCHEMBL7877637 1.00 PPARG (0.47) PPARGPPARAFFAR1CYP3A4CYP2C9
SCHEMBL7877640 1.00 PPARG (0.47) PPARGPPARAFFAR1CYP3A4CYP2C9
SCHEMBL7879128 1.00 PPARG (0.47) PPARGPPARAFFAR1CYP3A4CYP2C9
SCHEMBL7871522 0.89 PPARG (0.46) PPARGPPARAFFAR1CYP3A4CYP2C9
SCHEMBL7871527 0.89 PPARG (0.46) PPARGPPARAFFAR1CYP3A4CYP2C9
SCHEMBL9520977 0.88 PPARG (0.45) PPARGPPARA
SCHEMBL9721218 0.86 PPARG (0.55) PPARGPPARA
SCHEMBL8459921 0.85 PPARG (0.41) PPARGPPARAPPARD
SCHEMBL170065 0.84 PPARG (0.63) PPARGPPARACYP3A4CYP2C9KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641338-A1 HYPOGLYCEMIC THIAZOLIDINEDIONES AND INTERMEDIATES PFIZER INC. (US) 1995-03-08 EP claimed
WO-1993002079-A1 HYPOGLYCEMIC THIAZOLIDINEDIONES AND INTERMEDIATES PFIZER INC. (US) 1993-02-04 WO claimed