SCHEMBL4737424

SCHEMBL4737424

CCC(Oc1ccc(CCC(O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C(C)C)c(Cl)c1Cl)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 16/20 0.46
PPARA Q07869 13/20 0.46
PPARG P37231 5/20 0.37
FFAR1 O14842 1/20 0.35
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
SCHEMBL14146452 0.92 PPARD (0.39) PPARDPPARAPPARGKDM4EMEN1
SCHEMBL4739586 0.90 PPARD (0.45) PPARDPPARAPPARGKDM4EMEN1
SCHEMBL4737303 0.86 PPARA (0.48) PPARDPPARAPPARGFFAR1KDM4E
SCHEMBL14146339 0.82 PPARD (0.37) PPARDPPARAPPARGKDM4EMEN1
SCHEMBL4737403 0.80 PTGDR2 (0.42) PPARDPPARAPPARG
SCHEMBL4739636 0.79 PPARA (0.55) PPARDPPARAPPARGKDM4EMEN1
SCHEMBL14146508 0.79 MAPT (0.40) PPARDPPARAPPARGKDM4EMEN1
SCHEMBL14146395 0.76 PPARD (0.51) PPARDPPARAPPARG
SCHEMBL4739620 0.73 PPARA (0.46) PPARDPPARAPPARGKDM4EMEN1
SCHEMBL2467681 0.73 PPARD (0.52) PPARDPPARAPPARGFFAR1KDM4E

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