SCHEMBL4740773

SCHEMBL4740773

Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)CCc1ccc(OC(C(=O)O)c2ccccc2)c(Cl)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
PPARD Q03181 15/20 0.43
PPARA Q07869 11/20 0.43
PPARG P37231 4/20 0.43
CHRM4 P08173 1/20 0.41
NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL14146343 0.93 KDM4E (0.44) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL4739636 0.87 PPARA (0.55) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL4739620 0.84 PPARA (0.46) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL4741580 0.82 PPARA (0.56) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL217852 0.82 KEAP1 (0.39) PPARDPPARAPPARG
SCHEMBL14146847 0.81 PPARA (0.45) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL4739616 0.80 ALDH1A1 (0.55) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL4740521 0.79 PPARA (0.45) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL14146447 0.79 PPARA (0.42) NPC1ALDH1A1GAAPPARDPPARA
SCHEMBL4737303 0.77 PPARA (0.48) NPC1ALDH1A1GAAPPARDPPARA

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