SCHEMBL4853717

SCHEMBL4853717

CC(=O)ON(CC#CCC(O[Si](C)(C)C(C)(C)C)c1cc2ccccc2nc1OCCCCCc1ccccc1)Cc1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.37
PPARG P37231 9/20 0.37
ALOX5 P09917 1/20 0.35
PPARD Q03181 4/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
BCHE P06276 1/20 0.31
TRPV1 Q8NER1 4/20 0.30

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
SCHEMBL4736224 0.88 PPARA (0.49) PPARAPPARGALOX5PPARDTRPM8
SCHEMBL4857496 0.81 PPARG (0.42) PPARAPPARGALOX5PPARDBCHE
SCHEMBL4738645 0.80 PPARA (0.51) PPARAPPARG
SCHEMBL4786066 0.80 PPARG (0.40) PPARAPPARGALOX5BCHE
SCHEMBL4782940 0.79 PPARG (0.45) PPARAPPARGPPARD
SCHEMBL4887675 0.77 PPARG (0.38) PPARAPPARGALOX5PPARDBCHE
SCHEMBL4736226 0.77 PPARG (0.43) PPARAPPARGALOX5TRPV1
SCHEMBL4740397 0.71 PPARG (0.45) PPARAPPARGALOX5PPARDTRPV1
SCHEMBL4740467 0.69 PPARA (0.63) PPARAPPARG
SCHEMBL4739882 0.67 PPARA (0.59) PPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008081096-A2 QUINOLINYL DERIVATIVES, METHOD FOR PREPARING SAME, PHARMACEUTIC COMPOSITIONS CONTAINING SAME, AND USE THEREOF AS HYPOGLYCEMIANT AND HYPOLIPEMIANT AGENTS LES LABORATOIRES SERVIER (FR) 2008-07-10 WO disclosed