SCHEMBL4741580

SCHEMBL4741580

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)CCc1ccc(OC(C)(C)C(=O)O)c(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 19/20 0.56
PPARD Q03181 14/20 0.55
PPARG P37231 9/20 0.55
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
SCHEMBL4740499 0.91 PPARA (0.55) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL14146852 0.91 PPARA (0.52) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL4739679 0.90 PPARA (0.57) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL14146844 0.89 PPARA (0.51) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL4738822 0.89 PPARA (0.55) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL4740525 0.89 PPARA (0.57) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL4739629 0.89 PPARA (0.51) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL4741581 0.89 PPARA (0.56) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL4737326 0.86 PPARA (0.58) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL4739678 0.86 PPARA (0.62) PPARAPPARDPPARGNPC1ALDH1A1

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 2 patents. 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 claimed
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