SCHEMBL10690647

SCHEMBL10690647

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 4/20 0.56
CHRM1 P11229 4/20 0.56
CHRM3 P20309 4/20 0.56
CHRM2 P08172 1/20 0.52
MAPT P10636 2/20 0.51
SMPD1 P17405 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
HTT P42858 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
AOC3 Q16853 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
PDE4D Q08499 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
SCHEMBL10693786 0.88 LMNA (0.49) CHRM5CHRM1CHRM3CHRM2MAPT
SCHEMBL10694223 0.85 CHRM5 (0.60) CHRM5CHRM1CHRM3CHRM2MAPT
SCHEMBL27572248 0.85 CHRM5 (0.62) CHRM5CHRM1CHRM3CHRM2MAPT
SCHEMBL10694993 0.84 CHRM5 (0.54) CHRM5CHRM1CHRM3CHRM2
SCHEMBL10693562 0.84 MEN1 (0.56) CHRM5CHRM1CHRM3CHRM2L3MBTL1
SCHEMBL10695458 0.81 PTGIR (0.52) CHRM5CHRM1CHRM3L3MBTL1ALDH1A1
SCHEMBL27572893 0.79 SMN1; SMN2 (0.53) CHRM5CHRM1CHRM3MAPTL3MBTL1
SCHEMBL4149143 0.79 L3MBTL1 (0.55) CHRM5CHRM1CHRM3CHRM2SMPD1
SCHEMBL8084814 0.78 ALOX5 (0.58) CHRM5CHRM1CHRM3CHRM2MAPT
SCHEMBL10690104 0.77 MEN1 (0.55) CHRM1CHRM2L3MBTL1ALDH1A1AOC3

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