SCHEMBL4782940

SCHEMBL4782940

CC(C)(CCC#CCC(O[Si](C)(C)C(C)(C)C)c1cc2ccccc2nc1OCCCCCc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.45
PPARA Q07869 7/20 0.45
LTB4R Q15722 12/20 0.39
PPARD Q03181 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4738645 0.90 PPARA (0.51) PPARGPPARALTB4R
SCHEMBL4857496 0.88 PPARG (0.42) PPARGPPARAPPARDKDM4EMEN1
SCHEMBL4739882 0.87 PPARA (0.59) PPARGPPARALTB4R
SCHEMBL4786066 0.86 PPARG (0.40) PPARGPPARAKDM4EMEN1ALDH1A1
SCHEMBL4887675 0.83 PPARG (0.38) PPARGPPARAPPARDKDM4EMEN1
SCHEMBL4736258 0.80 PPARG (0.48) PPARGPPARA
SCHEMBL4853717 0.79 PPARA (0.37) PPARGPPARAPPARD
SCHEMBL4738651 0.73 PPARA (0.68) PPARGPPARALTB4R
SCHEMBL4736226 0.70 PPARG (0.43) PPARGPPARAKDM4EALDH1A1
SCHEMBL4738592 0.69 PPARA (0.68) PPARGPPARAKDM4EMEN1ALDH1A1

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