SCHEMBL10690104

SCHEMBL10690104

CC(=O)OCC(=O)N(CCCc1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.47
ALOX5 P09917 4/20 0.47
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
JAK2 O60674 1/20 0.46
PAX8 Q06710 1/20 0.46
TP53 P04637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MLYCD O95822 1/20 0.44
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 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
SCHEMBL10694697 0.97 MEN1 (0.53) MEN1KMT2ASMN1; SMN2ALOX5ALDH1A1
SCHEMBL10693562 0.93 MEN1 (0.56) MEN1KMT2ASMN1; SMN2ALOX5ALDH1A1
SCHEMBL10695458 0.84 PTGIR (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL9676729 0.84 ALDH1A1 (0.59) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL10694993 0.83 CHRM5 (0.54) MEN1KMT2AALOX5NPC1RAB9A
SCHEMBL4456605 0.79 SMN1; SMN2 (0.52) MEN1KMT2ASMN1; SMN2ALOX5ALDH1A1
SCHEMBL11794701 0.79 ALDH1A1 (0.45) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL10694263 0.79 CNR2 (0.54) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL10991682 0.79 MEN1 (0.60) MEN1KMT2ASMN1; SMN2ALOX5ALDH1A1
SCHEMBL10690647 0.77 CHRM5 (0.56) ALDH1A1L3MBTL1CHRM2CHRM1AOC3

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-0098743-B1 PHENYL ALPHA-ACYLOXYACETAMIDE DERIVATES AND THEIR THERAPEUTIC USE Yu, Ruey J., Dr. (US) 1988-09-28 EP claimed
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