SCHEMBL10694435

SCHEMBL10694435

CCCCCCCCCCCC(=O)OCC(=O)Nc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
ALDH1A1 P00352 2/20 0.62
MEN1 O00255 1/20 0.62
NPC1 O15118 1/20 0.62
POLB P06746 1/20 0.62
MAPT P10636 1/20 0.62
RAB9A P51151 1/20 0.62
KMT2A Q03164 1/20 0.62
SOAT2 O75908 1/20 0.60
SOAT1 P35610 1/20 0.60
GAA P10253 1/20 0.58
PKM P14618 1/20 0.58
HPGD P15428 1/20 0.58
ICMT O60725 1/20 0.57
ALB P02768 1/20 0.57
KLK7 P49862 2/20 0.56
PAM P19021 2/20 0.55
HDAC8 Q9BY41 4/20 0.54
HDAC3 O15379 3/20 0.54
HDAC6 Q9UBN7 2/20 0.54

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
SCHEMBL21838310 1.00 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1MEN1NPC1POLB
SCHEMBL11114167 0.90 SOAT2 (0.71) SMN1; SMN2ALDH1A1MEN1NPC1POLB
SCHEMBL16409794 0.84 EPHX2 (0.66) SOAT2SOAT1GAAHPGDICMT
SCHEMBL9388173 0.83 SOAT2 (0.82) ALDH1A1POLBSOAT2SOAT1ICMT
SCHEMBL8743258 0.83 SOAT2 (0.82) ALDH1A1POLBSOAT2SOAT1ICMT
SCHEMBL8743085 0.83 SOAT2 (0.82) ALDH1A1POLBSOAT2SOAT1ICMT
SCHEMBL282938 0.83 SOAT2 (0.82) ALDH1A1POLBSOAT2SOAT1ICMT
SCHEMBL541399 0.83 SOAT2 (0.82) ALDH1A1POLBSOAT2SOAT1ICMT
SCHEMBL8742971 0.83 SOAT2 (0.82) ALDH1A1POLBSOAT2SOAT1ICMT
SCHEMBL8743011 0.83 SOAT2 (0.82) ALDH1A1POLBSOAT2SOAT1ICMT

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 4 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-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