SCHEMBL4738645

SCHEMBL4738645

CC(C)(C)[Si](C)(C)OC(CC#CCCCC(=O)O)c1cc2ccccc2nc1OCCCCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.51
PPARG P37231 9/20 0.51
CYSLTR2 Q9NS75 3/20 0.39
CYSLTR1 Q9Y271 3/20 0.39
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
FFAR1 O14842 1/20 0.34
LTB4R Q15722 2/20 0.34

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
SCHEMBL4736258 0.90 PPARG (0.48) PPARAPPARGCYSLTR2CYSLTR1
SCHEMBL4782940 0.90 PPARG (0.45) PPARAPPARGLTB4R
SCHEMBL4857496 0.88 PPARG (0.42) PPARAPPARGCYSLTR2CYSLTR1
SCHEMBL4786066 0.87 PPARG (0.40) PPARAPPARG
SCHEMBL4887675 0.84 PPARG (0.38) PPARAPPARG
SCHEMBL4738651 0.84 PPARA (0.68) PPARAPPARGCYSLTR2CYSLTR1MAPT
SCHEMBL4738592 0.80 PPARA (0.68) PPARAPPARGCYSLTR2CYSLTR1FFAR1
SCHEMBL4853717 0.80 PPARA (0.37) PPARAPPARG
SCHEMBL4739535 0.79 PPARA (0.65) PPARAPPARGCYSLTR2CYSLTR1FFAR1
SCHEMBL4740467 0.79 PPARA (0.63) PPARAPPARGCYSLTR2CYSLTR1FFAR1

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