SCHEMBL5325161

SCHEMBL5325161

COc1ccc(-n2cccc2)cc1C(=O)NC(C)Cc1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.48
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
DNMT3A Q9Y6K1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CNR2 P34972 1/20 0.39
MME P08473 1/20 0.39
PSMB5 P28074 2/20 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
SCHEMBL5328239 0.85 ACACB (0.42) ACACBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5327174 0.82 ALDH1A1 (0.51) ACACBALDH1A1DNMT3AMEN1KMT2A
SCHEMBL5325174 0.81 ALDH1A1 (0.70) ACACBALDH1A1DNMT3AL3MBTL1PSMB5
SCHEMBL5326665 0.81 NR1H4 (0.55) ACACBALDH1A1SMN1; SMN2DNMT3AMEN1
SCHEMBL5325179 0.81 NR1H4 (0.55) ACACBALDH1A1SMN1; SMN2DNMT3AMEN1
SCHEMBL5324896 0.81 NR1H4 (0.55) ACACBALDH1A1SMN1; SMN2DNMT3AMEN1
SCHEMBL14398212 0.79 ALDH1A1 (0.48) ACACBALDH1A1SMN1; SMN2DNMT3AMEN1
SCHEMBL14397665 0.79 KMT2A (0.60) ACACBALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5324806 0.77 ALDH1A1 (0.48) ACACBALDH1A1SMN1; SMN2DNMT3AMEN1
SCHEMBL14399342 0.76 ALDH1A1 (0.52) ACACBALDH1A1L3MBTL1KMT2A

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