SCHEMBL5324280

SCHEMBL5324280

COc1ccc(-c2ccc(F)cc2F)cc1C(=O)NC(C)Cc1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
PSMB5 P28074 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MMEL1 Q495T6 2/20 0.43
DNMT3A Q9Y6K1 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
DHFR P00374 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
TTR P02766 1/20 0.41
ALB P02768 1/20 0.41
HMGB1 P09429 1/20 0.41
HPGD P15428 1/20 0.41
CXCL12 P48061 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 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
SCHEMBL5326276 0.86 ROCK2 (0.44) ROCK2ROCK1PSMB5ALDH1A1MMEL1
SCHEMBL5324896 0.81 NR1H4 (0.55) PSMB5ALDH1A1DNMT3AMEN1USP2
SCHEMBL5325179 0.81 NR1H4 (0.55) PSMB5ALDH1A1DNMT3AMEN1USP2
SCHEMBL5326665 0.81 NR1H4 (0.55) PSMB5ALDH1A1DNMT3AMEN1USP2
SCHEMBL5325174 0.80 ALDH1A1 (0.70) PSMB5ALDH1A1DNMT3ALMNAACACB
SCHEMBL5327174 0.79 ALDH1A1 (0.51) PSMB5ALDH1A1DNMT3AMEN1KMT2A
SCHEMBL14398212 0.76 ALDH1A1 (0.48) ALDH1A1DNMT3AMEN1KMT2AHSD17B10
SCHEMBL22419895 0.75 TTR (0.50) ALDH1A1KDM4EMEN1USP2DHFR
SCHEMBL13243349 0.75 ALDH1A1 (0.52) ALDH1A1KDM4EMEN1USP2DHFR
SCHEMBL5325161 0.73 ACACB (0.48) PSMB5ALDH1A1DNMT3AMEN1KMT2A

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