SCHEMBL4740775

SCHEMBL4740775

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
HSP90AA1 P07900 1/20 0.44
CRHBP P24387 1/20 0.44
KMT2A Q03164 1/20 0.44
CRHR2 Q13324 1/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
PPARA Q07869 11/20 0.40
PPARG P37231 6/20 0.40
PPARD Q03181 5/20 0.40
FFAR1 O14842 5/20 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
SCHEMBL4739616 0.87 ALDH1A1 (0.55) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL4739629 0.84 PPARA (0.51) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL4737303 0.83 PPARA (0.48) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL14146508 0.80 MAPT (0.40) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL4737342 0.78 MAPT (0.41) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL4737346 0.78 MAPT (0.41) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL4740491 0.76 ALDH1A1 (0.60) MAPTMEN1KMT2ANPC1ALDH1A1
SCHEMBL4739681 0.75 MAPT (0.61) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL4475694 0.75 ALDH1A1 (0.53) MAPTKDM4EMEN1HSP90AA1CRHBP
SCHEMBL4466376 0.75 ALDH1A1 (0.53) MAPTKDM4EMEN1HSP90AA1CRHBP

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 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