SCHEMBL7920653

SCHEMBL7920653

COC(=O)[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)Nc1ccccc1C(=O)c1cccnc1

nearest known ligand 0.89

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.89
PPARA Q07869 5/20 0.76
PPARD Q03181 2/20 0.76

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
SCHEMBL7920648 1.00 PPARG (0.89) PPARGPPARAPPARD
SCHEMBL2788967 0.94 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL2788970 0.94 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL7922805 0.93 PPARG (0.88) PPARGPPARAPPARD
SCHEMBL7922811 0.93 PPARG (0.88) PPARGPPARAPPARD
SCHEMBL7920878 0.93 PPARG (0.88) PPARGPPARAPPARD
SCHEMBL7920882 0.93 PPARG (0.88) PPARGPPARAPPARD
SCHEMBL7914536 0.92 PPARG (0.88) PPARGPPARAPPARD
SCHEMBL7914535 0.92 PPARG (0.88) PPARGPPARAPPARD
SCHEMBL7920853 0.90 PPARG (0.90) 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 2 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