SCHEMBL5100773

SCHEMBL5100773

CC(OCc1cccc(-c2ccc(OCCN3CCOc4ccccc43)cc2)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
TSHR P16473 2/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
FFAR1 O14842 5/20 0.40
GRM5 P41594 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
AKR1B1 P15121 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
FAAH O00519 1/20 0.37
NAAA Q02083 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL5101275 0.91 LMNA (0.41) PPARGPPARATSHRCYSLTR2CYSLTR1
SCHEMBL5113740 0.82 TSHR (0.44) PPARGPPARATSHRCYSLTR2CYSLTR1
SCHEMBL5100765 0.79 PPARG (0.57) PPARGPPARATSHR
SCHEMBL5101223 0.79 TSHR (0.39) PPARGPPARATSHRCYSLTR2CYSLTR1
SCHEMBL7693289 0.78 TSHR (0.43) PPARGPPARATSHRCYSLTR2CYSLTR1
SCHEMBL5104269 0.78 PPARG (0.45) PPARGPPARATSHRFFAR1LMNA
SCHEMBL27576348 0.77 HRH3 (0.41) PPARGTSHRFFAR1FFAR4NPC1
SCHEMBL5103951 0.76 PPARG (0.49) PPARGPPARATSHRCYSLTR2CYSLTR1
SCHEMBL27576342 0.75 TSHR (0.43) TSHRCYSLTR2CYSLTR1FFAR1GRM5
SCHEMBL5101273 0.75 PPARG (0.53) PPARGPPARATSHRLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348426-B1 Substituted bicyclic heterocycles, process for their preparation and their use as antiobesity and hypocholesterolemic agents DR. REDDY'S LABORATIES LIMITED (IN) 2008-03-25 US disclosed
EP-1175412-A1 SUBSTITUTED BICYCLIC HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIOBESITY AND HYPOCHOLESTEROLEMIC AGENTS Dr. Reddy's Research Foundation (IN) 2002-01-30 EP disclosed
WO-2000066572-A1 SUBSTITUTED BICYCLIC HETEROCYCLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTIOBESITY AND HYPOCHOLESTEROLEMIC AGENTS DR. REDDY'S RESEARCH FOUNDATION (IN) 2000-11-09 WO disclosed