SCHEMBL4739586

SCHEMBL4739586

CCOC(CCc1ccc(OC(CC)C(=O)O)c(Cl)c1Cl)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 17/20 0.45
PPARA Q07869 13/20 0.45
PPARG P37231 6/20 0.40
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
CRHBP P24387 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL14146339 0.92 PPARD (0.37) PPARDPPARAPPARGKDM4EMEN1
SCHEMBL4737424 0.90 PPARD (0.46) PPARDPPARAPPARGKDM4EMEN1
SCHEMBL4737303 0.84 PPARA (0.48) PPARDPPARAPPARGKDM4EMEN1
SCHEMBL14146452 0.82 PPARD (0.39) PPARDPPARAPPARGKDM4EMEN1
SCHEMBL4741103 0.81 PPARG (0.42) PPARDPPARAPPARG
SCHEMBL30007634 0.78 PPARD (0.49) PPARDPPARAPPARG
SCHEMBL14146509 0.78 PPARD (0.49) PPARDPPARAPPARG
SCHEMBL14146389 0.78 PPARD (0.49) PPARDPPARAPPARG
SCHEMBL4739636 0.77 PPARA (0.55) PPARDPPARAPPARGKDM4EMEN1
SCHEMBL14146508 0.77 MAPT (0.40) PPARDPPARAPPARGKDM4EMEN1

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