SCHEMBL4737314

SCHEMBL4737314

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)C=Cc1ccc(OCC(=O)O)c(Cl)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 0.53
PPARA Q07869 9/20 0.53
PPARG P37231 5/20 0.53
FFAR1 O14842 2/20 0.51
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL4737311 1.00 PPARD (0.53) PPARDPPARAPPARGFFAR1NPC1
SCHEMBL14146448 1.00 PPARD (0.53) PPARDPPARAPPARGFFAR1NPC1
SCHEMBL14146337 0.90 ALDH1A1 (0.45) PPARDPPARAPPARGFFAR1NPC1
SCHEMBL4737309 0.86 PPARA (0.54) PPARDPPARAPPARGNPC1ALDH1A1
SCHEMBL4737307 0.86 PPARA (0.54) PPARDPPARAPPARGNPC1ALDH1A1
SCHEMBL4740490 0.84 ALDH1A1 (0.52) PPARDPPARAPPARGFFAR1NPC1
SCHEMBL4740506 0.84 ALDH1A1 (0.52) PPARDPPARAPPARGFFAR1NPC1
SCHEMBL14146399 0.82 MAPT (0.44) PPARDPPARAPPARGNPC1ALDH1A1
SCHEMBL4738112 0.77 ALDH1A1 (0.51) PPARDPPARAPPARGNPC1ALDH1A1
SCHEMBL4738110 0.77 ALDH1A1 (0.51) PPARDPPARAPPARGNPC1ALDH1A1

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-2008087367-A2 SUBSTITUTED (PHENYLTHIAZOLYL)-PHENYL-PROPAN-1-ONE AND (PHENYLOXAZODYL)-PHENYL-PROPAN-1-ONE DERIVATIVES, PREPARATIONS AND USES OF SAME GENFIT (FR) 2008-07-24 WO disclosed