SCHEMBL4737307

SCHEMBL4737307

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)/C=C\c1ccc(OC(C)(C)C(=O)O)c(Cl)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 13/20 0.54
PPARD Q03181 11/20 0.52
PPARG P37231 6/20 0.52
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL4737309 1.00 PPARA (0.54) PPARAPPARDPPARGALDH1A1MAPT
SCHEMBL14146399 0.91 MAPT (0.44) PPARAPPARDPPARGALDH1A1MAPT
SCHEMBL4737314 0.86 PPARD (0.53) PPARAPPARDPPARGALDH1A1NPC1
SCHEMBL4737311 0.86 PPARD (0.53) PPARAPPARDPPARGALDH1A1NPC1
SCHEMBL14146448 0.86 PPARD (0.53) PPARAPPARDPPARGALDH1A1NPC1
SCHEMBL4740490 0.84 ALDH1A1 (0.52) PPARAPPARDPPARGALDH1A1MAPT
SCHEMBL4740506 0.84 ALDH1A1 (0.52) PPARAPPARDPPARGALDH1A1MAPT
SCHEMBL14146337 0.83 ALDH1A1 (0.45) PPARAPPARDPPARGALDH1A1MAPT
SCHEMBL4737608 0.80 TNFRSF1A (0.55)
SCHEMBL4787159 0.80 TNFRSF1A (0.55)

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