SCHEMBL7923370

SCHEMBL7923370

COC(=O)[C@H](Cc1ccc(OCCc2nc(N(C)C)sc2C)cc1)Nc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.88

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.88
PPARA Q07869 9/20 0.70
PPARD Q03181 1/20 0.58

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
SCHEMBL7923367 1.00 PPARG (0.88) PPARGPPARAPPARD
SCHEMBL2786504 0.94 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL2786508 0.94 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL7926394 0.90 PPARG (0.87) PPARGPPARAPPARD
SCHEMBL7920818 0.86 PPARG (0.88) PPARGPPARAPPARD
SCHEMBL7920815 0.86 PPARG (0.88) PPARGPPARAPPARD
SCHEMBL7914493 0.85 PPARG (0.90) PPARGPPARAPPARD
SCHEMBL8458872 0.85 PPARG (0.90) PPARGPPARAPPARD
SCHEMBL7920641 0.85 PPARG (0.89) PPARGPPARAPPARD
SCHEMBL7920644 0.85 PPARG (0.89) PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6294580-B1 FOR THERAPY AND PROPHYLAXIS OF TYPE II OR NON-INSULIN DEPENDENT DIABETES MELLITUS, HYPERGLYCAEMIA, DYSLIPIDEMIA, TYPE II DIABETES, TYPE I DIABETES, HYPERTRIGLYCERIDEMIA, SYNDROME X, INSULIN RESISTANCE, HEART FAILURE GLAXO WELLCOME INC. 2001-09-25 US disclosed
EP-0888317-B1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LTD (GB) 2001-09-12 EP disclosed
EP-0888317-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1999-01-07 EP disclosed
WO-1997031907-A1 SUBSTITUTED 4-HYDROXY-PHENYLALCANOIC ACID DERIVATIVES WITH AGONIST ACTIVITY TO PPAR-GAMMA GLAXO GROUP LIMITED (GB) 1997-09-04 WO disclosed