SCHEMBL7914489

SCHEMBL7914489

Cc1oc(-c2ccncc2)nc1CCO

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
HRH3 Q9Y5N1 3/20 0.46
PPARG P37231 12/20 0.44
PPARA Q07869 11/20 0.44
PPARD Q03181 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 1/20 0.42
KDM1A O60341 1/20 0.41
KDR P35968 1/20 0.40

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
SCHEMBL3530493 0.88 RAB9A (0.53) KDM4EHRH3PPARGPPARAPPARD
SCHEMBL5385072 0.87 KDM4E (0.50) KDM4EHRH3PPARGPPARAPPARD
SCHEMBL820945 0.85 SMN1; SMN2 (0.51) KDM4EHRH3PPARGPPARAPPARD
SCHEMBL979145 0.85 KDM4E (0.65) KDM4EHRH3PPARGPPARAPPARD
SCHEMBL7722459 0.84 HRH3 (0.46) KDM4EHRH3PPARGPPARAPPARD
SCHEMBL1981068 0.83 PPARG (0.54) KDM4EHRH3PPARGPPARAPPARD
SCHEMBL1436227 0.83 HSD17B10 (0.54) KDM4EPPARGPPARANPC1RAB9A
SCHEMBL1436051 0.83 PPARA (0.51) KDM4EHRH3PPARGPPARAPPARD
SCHEMBL4888378 0.83 RAB9A (0.62) KDM4EHRH3PPARGPPARAPPARD
SCHEMBL4890697 0.82 PPARA (0.54) KDM4EPPARGPPARANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1093124-C Substituted 4-hydroxy-phenylalcanoic acid derivatives with activity to ppar-'gamma' GLAXO GROUP LTD (GB) 2002-10-23 CN disclosed
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
CN-1218460-A Substituted 4-hydroxy-phenylalcanoic acid derivatives with activity to ppar-'gamma' GLAXO GROUP LTD (GB) 1999-06-02 CN 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