SCHEMBL5328209

SCHEMBL5328209

CC(Cc1ccc(O)cc1)NC(=O)c1cccc(C(F)(F)F)c1F

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.56
CDK2 P24941 1/20 0.47
KAT6A Q92794 2/20 0.46
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
EPHX2 P34913 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
CTSK P43235 2/20 0.42
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
POLB P06746 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PPARG P37231 1/20 0.39

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
SCHEMBL5325385 0.83 CTSS (0.48) CTSSKAT6AEPHX2PPARG
SCHEMBL14399347 0.80 CTSS (0.48) CTSSEPHX2PPARG
SCHEMBL5325964 0.80 POLB (0.61) OPRM1OPRD1OPRK1POLBNPC1
SCHEMBL13753372 0.79 CTSS (0.65) CTSSKAT6ATAS1R3TAS1R1TAS1R2
SCHEMBL12654656 0.78 CNR2 (0.50) CTSSEPHX2CTSKNPC1RAB9A
SCHEMBL13753422 0.78 CTSS (0.64) CTSSKAT6ATAS1R3TAS1R1TAS1R2
SCHEMBL5324074 0.76 CDK2 (0.54) CDK2NPC1RAB9APPARG
SCHEMBL5331315 0.76 CDK2 (0.52) CDK2POLBNPC1RAB9A
SCHEMBL24862943 0.76 NPC1 (0.50) OPRM1OPRD1OPRK1POLBNPC1
SCHEMBL24862953 0.75 ALDH1A1 (0.51) OPRM1OPRD1OPRK1NPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007118963-A2 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 WO disclosed