SCHEMBL5331315

SCHEMBL5331315

CC(Cc1ccc(O)cc1)NC(=O)c1cc(C(F)(F)F)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.52
ACACB O00763 2/20 0.47
ALOX5AP P20292 6/20 0.43
FEN1 P39748 6/20 0.43
BACE1 P56817 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
DDR1 Q08345 1/20 0.41
PSMB5 P28074 1/20 0.41
ENPP2 Q13822 1/20 0.41
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL5324074 0.91 CDK2 (0.54) CDK2ACACBALOX5APFEN1NPC1
SCHEMBL5326681 0.83 CNR1 (0.48) ACACB
SCHEMBL14397752 0.80 PPARA (0.45) ACACBDDR1
SCHEMBL5325964 0.80 POLB (0.61) NPC1RAB9APOLB
SCHEMBL12516836 0.79 NPSR1 (0.57) ALOX5APFEN1DDR1ENPP2MRGPRX4
SCHEMBL5321703 0.79 CDK2 (0.47) CDK2ACACBNPC1RAB9ADDR1
SCHEMBL13753425 0.77 ENPP2 (0.46) ALOX5APFEN1DDR1ENPP2
SCHEMBL5328209 0.76 CTSS (0.56) CDK2NPC1RAB9APOLB
SCHEMBL5782707 0.76 KDM4E (0.51) ALOX5APFEN1DDR1ENPP2MRGPRX4
SCHEMBL14398212 0.74 ALDH1A1 (0.48) ACACB

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-2007118964-A1 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 WO disclosed
WO-2007118963-A2 SUBSTITUTED N-(PHENETHYL)BENZAMIDE DERIVATIVES, PREPARATION AND USES THEREOF GENFIT (FR) 2007-10-25 WO disclosed