SCHEMBL10695941

SCHEMBL10695941

O=C(COCc1ccccc1)N(CCc1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALOX5 P09917 6/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
LTB4R Q15722 3/20 0.43
LTB4R2 Q9NPC1 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
PAX8 Q06710 1/20 0.43
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGIR P43119 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
SCHEMBL20363128 0.84 ALDH1A1 (0.61) MEN1KMT2ANPC1RAB9ALTB4R2
SCHEMBL10693562 0.81 MEN1 (0.56) MEN1KMT2AALOX5NPC1RAB9A
SCHEMBL10693228 0.79 KMT2A (0.62) MEN1KMT2AALOX5NPC1RAB9A
SCHEMBL10695487 0.79 NPC1 (0.50) MEN1KMT2AALOX5NPC1RAB9A
SCHEMBL10991682 0.78 MEN1 (0.60) MEN1KMT2AALOX5NPC1RAB9A
SCHEMBL29176461 0.78 OPRM1 (0.59) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL22160774 0.77 MEN1 (0.51) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL22312249 0.76 KMT2A (0.52) MEN1KMT2ANPC1SMN1; SMN2ALDH1A1
SCHEMBL16061331 0.76 TP53 (0.56) MEN1KMT2AALOX5NPC1RAB9A
SCHEMBL2718571 0.75 TRPM8 (0.62) TP53TDP1CHRM2CHRM1CHRM3

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