SCHEMBL4739882

SCHEMBL4739882

CC(C)(CCC#CCC(O)c1cc2ccccc2nc1OCCCCCc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.59
PPARG P37231 10/20 0.59
LTB4R Q15722 9/20 0.42

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
SCHEMBL4782940 0.87 PPARG (0.45) PPARAPPARGLTB4R
SCHEMBL4738592 0.82 PPARA (0.68) PPARAPPARG
SCHEMBL4739535 0.81 PPARA (0.65) PPARAPPARGLTB4R
SCHEMBL4740472 0.80 PPARA (0.63) PPARAPPARGLTB4R
SCHEMBL4740467 0.80 PPARA (0.63) PPARAPPARGLTB4R
SCHEMBL4736217 0.80 PPARA (0.61) PPARAPPARGLTB4R
SCHEMBL4738676 0.78 PPARA (0.63) PPARAPPARG
SCHEMBL4857496 0.73 PPARG (0.42) PPARAPPARG
SCHEMBL4786066 0.71 PPARG (0.40) PPARAPPARG
SCHEMBL4887675 0.70 PPARG (0.38) 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