SCHEMBL10694467

SCHEMBL10694467

CC(=O)OCC(=O)N(Cc1cccnc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
TSHR P16473 1/20 0.54
LMNA P02545 5/20 0.48
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 3/20 0.47
TP53 P04637 3/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
GLA P06280 1/20 0.46
RAB9A P51151 1/20 0.46
PAX8 Q06710 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 2/20 0.44
GRM2 Q14416 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44

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
SCHEMBL9676729 0.87 ALDH1A1 (0.59) ALDH1A1HTTNPC1GLARAB9A
SCHEMBL10692515 0.86 GAA (0.53) GAATSHRLMNACYP3A4ALDH1A1
SCHEMBL10693889 0.81 GAA (0.62) GAATSHRLMNACYP3A4ALDH1A1
SCHEMBL22289326 0.81 GAA (0.73) GAATSHRLMNACYP3A4ALDH1A1
SCHEMBL10694263 0.79 CNR2 (0.54) GAAALDH1A1HTTNPC1GLA
SCHEMBL10693054 0.78 NPC1 (0.52) LMNACYP3A4ALDH1A1HTTNPC1
SCHEMBL10689083 0.78 HTT (0.49) LMNAALDH1A1HTTNPC1GLA
SCHEMBL11835262 0.77 GAA (0.63) GAATSHRLMNACYP3A4ALDH1A1
SCHEMBL10693518 0.77 RNF4 (0.58) ALDH1A1HTTNPC1GLARAB9A
SCHEMBL10988833 0.77 PDK1 (0.47) GAATSHRCYP3A4TP53

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 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