SCHEMBL7920722

SCHEMBL7920722

COC(=O)CC(Nc1ccccc1C(=O)c1ccccc1)c1ccc(OCCc2nc(-c3ccccc3)cn2C)cc1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 20/20 0.71
PPARA Q07869 7/20 0.71
PPARD Q03181 1/20 0.45

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
SCHEMBL2813420 0.94 PPARG (0.73) PPARGPPARAPPARD
SCHEMBL7920719 0.83 PPARG (0.88) PPARGPPARAPPARD
SCHEMBL2813416 0.83 PPARG (1.00) PPARGPPARAPPARD
SCHEMBL7922635 0.81 PPARG (0.71) PPARGPPARAPPARD
SCHEMBL7914427 0.80 PPARG (0.70) PPARGPPARAPPARD
SCHEMBL7921298 0.80 PPARG (0.57) PPARGPPARAPPARD
SCHEMBL7926396 0.80 PPARG (0.71) PPARGPPARAPPARD
SCHEMBL7920825 0.80 PPARG (0.73) PPARGPPARAPPARD
SCHEMBL7705707 0.75 PPARG (0.74) PPARGPPARAPPARD
SCHEMBL2786650 0.74 PPARG (0.74) 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