SCHEMBL4739679

SCHEMBL4739679

Cc1nc(-c2cccc(C(F)(F)F)c2)sc1C(=O)CCc1ccc(OC(C)(C)C(=O)O)c(Cl)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 15/20 0.57
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
PPARD Q03181 10/20 0.52
PPARG P37231 6/20 0.52
MAPT P10636 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL4741580 0.90 PPARA (0.56) PPARAALDH1A1PPARDPPARGNPC1
SCHEMBL4740499 0.84 PPARA (0.55) PPARAALDH1A1SMN1; SMN2PPARDPPARG
SCHEMBL4740491 0.84 ALDH1A1 (0.60) PPARAALDH1A1SMN1; SMN2PPARDPPARG
SCHEMBL219071 0.83 HSD17B2 (0.41) PPARAALDH1A1SMN1; SMN2PPARDPPARG
SCHEMBL4738822 0.83 PPARA (0.55) PPARAALDH1A1SMN1; SMN2PPARDPPARG
SCHEMBL14146852 0.81 PPARA (0.52) PPARAALDH1A1PPARDPPARGNPC1
SCHEMBL4737357 0.81 MAPT (0.43) PPARAALDH1A1SMN1; SMN2PPARDPPARG
SCHEMBL14146844 0.80 PPARA (0.51) PPARAALDH1A1PPARDPPARGMAPT
SCHEMBL4740525 0.79 PPARA (0.57) PPARAALDH1A1PPARDPPARGNPC1
SCHEMBL4739629 0.79 PPARA (0.51) PPARAALDH1A1PPARDPPARGMAPT

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