SCHEMBL5325174

SCHEMBL5325174

COc1ccc(Cl)cc1C(=O)NC(C)Cc1ccc(O)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.70
DNMT3A Q9Y6K1 1/20 0.64
LMNA P02545 2/20 0.54
PSMB5 P28074 2/20 0.52
KCNMA1 Q12791 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
PPARG P37231 1/20 0.48
RAB9A P51151 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
NLRP3 Q96P20 1/20 0.47
ACACB O00763 2/20 0.47
FPR2 P25090 1/20 0.47

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
SCHEMBL11471061 0.87 ALDH1A1 (0.65) ALDH1A1DNMT3ALMNAPSMB5KCNMA1
SCHEMBL5327174 0.87 ALDH1A1 (0.51) ALDH1A1DNMT3APSMB5ACACBFPR2
SCHEMBL14398212 0.84 ALDH1A1 (0.48) ALDH1A1DNMT3AACACB
SCHEMBL5321332 0.83 ALDH1A1 (0.59) ALDH1A1DNMT3ALMNAPSMB5PPARG
SCHEMBL5324896 0.83 NR1H4 (0.55) ALDH1A1DNMT3APSMB5PPARGACACB
SCHEMBL5325179 0.83 NR1H4 (0.55) ALDH1A1DNMT3APSMB5PPARGACACB
SCHEMBL5326665 0.83 NR1H4 (0.55) ALDH1A1DNMT3APSMB5PPARGACACB
SCHEMBL5324806 0.81 ALDH1A1 (0.48) ALDH1A1DNMT3APPARGRAB9ANCOA3
SCHEMBL5325161 0.81 ACACB (0.48) ALDH1A1DNMT3APSMB5L3MBTL1ACACB
SCHEMBL14397665 0.81 KMT2A (0.60) ALDH1A1LMNAL3MBTL1RAB9AACACB

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