SCHEMBL10694410

SCHEMBL10694410

O=C(COC(=O)Cc1ccccc1)Nc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 6/20 0.76
L3MBTL1 Q9Y468 1/20 0.72
ALDH1A1 P00352 3/20 0.69
GAA P10253 1/20 0.69
HTT P42858 1/20 0.69
EPHX2 P34913 1/20 0.66
PAM P19021 1/20 0.64
NPC1 O15118 1/20 0.63
POLB P06746 1/20 0.63
RAB9A P51151 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL18354642 0.87 KLK7 (1.00) KLK7L3MBTL1ALDH1A1NPC1POLB
SCHEMBL11235408 0.81 KLK7 (0.59) KLK7L3MBTL1ALDH1A1GAAHTT
SCHEMBL10983201 0.81 KLK7 (0.61) KLK7L3MBTL1ALDH1A1GAAHTT
SCHEMBL9301096 0.80 SMN1; SMN2 (0.72) ALDH1A1PAMPOLBSMN1; SMN2KMT2A
SCHEMBL5855192 0.80 KLK7 (0.59) KLK7L3MBTL1ALDH1A1GAAHTT
SCHEMBL1516167 0.80 EPHX2 (1.00) ALDH1A1GAAHTTEPHX2NPC1
SCHEMBL11124688 0.79 L3MBTL1 (0.61) KLK7L3MBTL1ALDH1A1GAAHTT
SCHEMBL10694390 0.79 ALDH1A1 (0.61) KLK7L3MBTL1ALDH1A1GAAPAM
SCHEMBL20037101 0.79 KLK7 (0.55) KLK7L3MBTL1ALDH1A1GAAHTT
SCHEMBL18354489 0.78 KLK7 (1.00) KLK7L3MBTL1ALDH1A1NPC1POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0098743-B1 PHENYL ALPHA-ACYLOXYACETAMIDE DERIVATES AND THEIR THERAPEUTIC USE Yu, Ruey J., Dr. (US) 1988-09-28 EP claimed
EP-0098743-A1 Phenyl alpha-acyloxyacetamide derivates and their therapeutic use Yu, Ruey J., Dr. (US) 1984-01-18 EP claimed
EP-0098743-B1 PHENYL ALPHA-ACYLOXYACETAMIDE DERIVATES AND THEIR THERAPEUTIC USE Yu, Ruey J., Dr. (US) 1988-09-28 EP disclosed
US-4518789-A Phenyl alpha-acyloxyacetamide derivatives and their therapeutic use YU RUEY J 1985-05-21 US disclosed
EP-0098743-A1 Phenyl alpha-acyloxyacetamide derivates and their therapeutic use Yu, Ruey J., Dr. (US) 1984-01-18 EP disclosed