SCHEMBL4740397

SCHEMBL4740397

O=C(O)CN(CC#CCC(O)c1cc2ccccc2nc1OCCCCCc1ccc(C(F)(F)F)cc1)Cc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.45
PPARA Q07869 9/20 0.45
PPARD Q03181 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
CXCR3 P49682 2/20 0.34
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
MTTP P55157 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
PLA2G7 Q13093 1/20 0.32
TRPV1 Q8NER1 4/20 0.32

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
SCHEMBL4736217 0.83 PPARA (0.61) PPARGPPARAPPARDCYSLTR2CYSLTR1
SCHEMBL4736224 0.81 PPARA (0.49) PPARGPPARAPPARDALOX5TRPV1
SCHEMBL4740467 0.80 PPARA (0.63) PPARGPPARACYSLTR2CYSLTR1
SCHEMBL4738651 0.74 PPARA (0.68) PPARGPPARACYSLTR2CYSLTR1
SCHEMBL4739882 0.72 PPARA (0.59) PPARGPPARA
SCHEMBL4739535 0.71 PPARA (0.65) PPARGPPARACYSLTR2CYSLTR1
SCHEMBL4853717 0.71 PPARA (0.37) PPARGPPARAPPARDALOX5TRPV1
SCHEMBL4738592 0.71 PPARA (0.68) PPARGPPARACYSLTR2CYSLTR1
SCHEMBL4736308 0.68 PPARA (0.65) PPARGPPARACYSLTR2CYSLTR1
SCHEMBL4736226 0.68 PPARG (0.43) PPARGPPARAALOX5TRPV1

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