SCHEMBL4740472

SCHEMBL4740472

O=C(O)CCCC#CCC(O)c1cc2ccccc2nc1OCCCCCc1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.63
PPARG P37231 10/20 0.63
LTB4R Q15722 2/20 0.43
CYSLTR2 Q9NS75 2/20 0.42
CYSLTR1 Q9Y271 2/20 0.42
ALOX5 P09917 1/20 0.38
ALOX5AP P20292 1/20 0.38
FFAR1 O14842 1/20 0.36

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
SCHEMBL4738651 0.94 PPARA (0.68) PPARAPPARGLTB4RCYSLTR2CYSLTR1
SCHEMBL4740467 0.92 PPARA (0.63) PPARAPPARGLTB4RCYSLTR2CYSLTR1
SCHEMBL4738592 0.90 PPARA (0.68) PPARAPPARGCYSLTR2CYSLTR1FFAR1
SCHEMBL4739535 0.90 PPARA (0.65) PPARAPPARGLTB4RCYSLTR2CYSLTR1
SCHEMBL4736217 0.89 PPARA (0.61) PPARAPPARGLTB4RCYSLTR2CYSLTR1
SCHEMBL4736308 0.87 PPARA (0.65) PPARAPPARGCYSLTR2CYSLTR1
SCHEMBL4738676 0.85 PPARA (0.63) PPARAPPARGCYSLTR2CYSLTR1
SCHEMBL4738692 0.83 PPARA (0.65) PPARAPPARGCYSLTR2CYSLTR1
SCHEMBL4739882 0.80 PPARA (0.59) PPARAPPARGLTB4R
SCHEMBL4738645 0.79 PPARA (0.51) PPARAPPARGLTB4RCYSLTR2CYSLTR1

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