SCHEMBL7367372

SCHEMBL7367372

CCCCCCOc1cc(NC(C)=O)ccc1C(=O)OC

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.74
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 2/20 0.51
RECQL P46063 1/20 0.51
FAAH O00519 8/20 0.50
CDK1 P06493 1/20 0.48
C5 P01031 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.45
RORC P51449 1/20 0.45

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
SCHEMBL28427762 0.96 TDP1 (0.80) TDP1SMN1; SMN2HPGDRECQLFAAH
Ethopabate SCHEMBL540932 0.85 TDP1 (1.00) TDP1SMN1; SMN2HPGDCDK1MEN1
Ethopabate SCHEMBL29625103 0.85 TDP1 (1.00) TDP1SMN1; SMN2HPGDCDK1MEN1
SCHEMBL13637511 0.85 TDP1 (0.62) TDP1SMN1; SMN2HPGDRECQLFAAH
SCHEMBL28489272 0.84 TDP1 (0.60) TDP1SMN1; SMN2HPGDRECQLFAAH
Ethopabate SCHEMBL28629644 0.84 TDP1 (0.97) TDP1SMN1; SMN2HPGDCDK1MEN1
SCHEMBL19549621 0.82 MAOA (0.60) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL26355067 0.82 MAOA (0.60) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL28715731 0.80 MAOA (0.53) HPGDMAOAMAOBMEN1MAPT
SCHEMBL3738882 0.80 MAOA (0.49) TDP1HPGDMAOAMAOBMEN1

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
EP-0243959-B1 SUBSTITUTED BENZAMIDE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 1992-08-19 EP disclosed
US-4870074-A Substituted benzamide derivatives, for enhancing gastrointestinal motility DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-09-26 US disclosed
EP-0243959-A1 Substituted benzamide derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same Dainippon Pharmaceutical Co., Ltd. (JP) 1987-11-04 EP disclosed