SCHEMBL10693786

SCHEMBL10693786

COc1ccc(CN(C(=O)COC(C)=O)c2ccccc2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
TSHR P16473 3/20 0.49
ALDH1A1 P00352 3/20 0.49
ALOX15 P16050 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TP53 P04637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
CHRM5 P08912 4/20 0.47
CHRM1 P11229 4/20 0.47
CHRM3 P20309 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL10690647 0.88 CHRM5 (0.56) ALDH1A1L3MBTL1MAPTKDM4ECHRM5
SCHEMBL10693518 0.84 RNF4 (0.58) ALDH1A1MEN1KMT2AMAPK1CHRM1
SCHEMBL9676729 0.83 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL10694263 0.81 CNR2 (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL10693054 0.80 NPC1 (0.52) LMNAALDH1A1SMN1; SMN2NPC1HTT
SCHEMBL10689083 0.80 HTT (0.49) LMNAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL23201983 0.76 MAPT (0.78) LMNATSHRALDH1A1L3MBTL1MEN1
SCHEMBL29937922 0.76 MAPT (0.78) LMNATSHRALDH1A1L3MBTL1MEN1
SCHEMBL27572248 0.74 CHRM5 (0.62) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL10694993 0.74 CHRM5 (0.54) MEN1KMT2ANPSR1CHRM5CHRM1

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 2 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
EP-0098743-A1 Phenyl alpha-acyloxyacetamide derivates and their therapeutic use Yu, Ruey J., Dr. (US) 1984-01-18 EP disclosed