SCHEMBL4786066

SCHEMBL4786066

CC(C)(C)[Si](C)(C)OC(CC#CCBr)c1cc2ccccc2nc1OCCCCCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.40
PPARA Q07869 6/20 0.40
HRH4 Q9H3N8 1/20 0.36
BCHE P06276 2/20 0.33
PTGES O14684 1/20 0.32
ALOX5 P09917 1/20 0.32
TLR8 Q9NR97 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4857496 0.91 PPARG (0.42) PPARGPPARAHRH4BCHEPTGES
SCHEMBL4887675 0.88 PPARG (0.38) PPARGPPARAHRH4BCHEPTGES
SCHEMBL4738645 0.87 PPARA (0.51) PPARGPPARA
SCHEMBL4782940 0.86 PPARG (0.45) PPARGPPARAKDM4EMEN1ALDH1A1
SCHEMBL4853717 0.80 PPARA (0.37) PPARGPPARABCHEALOX5
SCHEMBL4736258 0.76 PPARG (0.48) PPARGPPARA
SCHEMBL4740398 0.76 HTT (0.40) PPARGPPARAHRH4KDM4EALDH1A1
SCHEMBL4739882 0.71 PPARA (0.59) PPARGPPARA
SCHEMBL4736226 0.69 PPARG (0.43) PPARGPPARAALOX5KDM4EALDH1A1
SCHEMBL4738651 0.69 PPARA (0.68) PPARGPPARA

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