SCHEMBL4739629

SCHEMBL4739629

CC(C)c1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)CCc1ccc(OC(C)(C)C(=O)O)c(Cl)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 17/20 0.51
PPARD Q03181 15/20 0.51
PPARG P37231 10/20 0.51
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
CRHBP P24387 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHR2 Q13324 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38

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 0.89 PPARA (0.56) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL4737303 0.85 PPARA (0.48) PPARAPPARDPPARGKDM4EMEN1
SCHEMBL4740775 0.84 MAPT (0.44) PPARAPPARDPPARGKDM4EMEN1
SCHEMBL14146508 0.83 MAPT (0.40) PPARAPPARDPPARGKDM4EMEN1
SCHEMBL14146852 0.82 PPARA (0.52) PPARAPPARDPPARGNPC1ALDH1A1
SCHEMBL14146844 0.81 PPARA (0.51) PPARAPPARDPPARGMAPTNPC1
SCHEMBL4740499 0.80 PPARA (0.55) PPARAPPARDPPARGKDM4EMEN1
SCHEMBL4739679 0.79 PPARA (0.57) PPARAPPARDPPARGMEN1MAPT
SCHEMBL217859 0.79 PPARA (0.39) PPARAPPARDPPARG
SCHEMBL4737604 0.79 PPARD (0.45) PPARAPPARDPPARGMAPTALDH1A1

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 3 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
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