SCHEMBL10693524

SCHEMBL10693524

COc1ccc(CNC(=O)C(OC(C)=O)c2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.70
TSHR P16473 1/20 0.69
ALDH1A1 P00352 3/20 0.63
PKM P14618 1/20 0.61
KLK7 P49862 4/20 0.58
CASR P41180 1/20 0.57
NPC1 O15118 3/20 0.54
RAB9A P51151 2/20 0.53
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL4158526 0.89 PKM (0.62) KMT2ATSHRALDH1A1PKMKLK7
SCHEMBL4162007 0.89 PKM (0.62) KMT2ATSHRALDH1A1PKMKLK7
SCHEMBL4158522 0.89 PKM (0.62) KMT2ATSHRALDH1A1PKMKLK7
SCHEMBL10693452 0.88 SMN1; SMN2 (0.57) KMT2ATSHRKLK7NPC1RAB9A
SCHEMBL10692649 0.87 PKM (0.76) KMT2ATSHRALDH1A1PKMKLK7
SCHEMBL9502645 0.86 PKM (0.59) KMT2ATSHRALDH1A1PKMKLK7
SCHEMBL10689090 0.86 ALDH1A1 (0.69) KMT2ATSHRALDH1A1PKMKLK7
SCHEMBL10693790 0.84 KMT2A (0.60) KMT2ATSHRALDH1A1PKMRAB9A
SCHEMBL18134893 0.82 PKM (0.67) KMT2ATSHRALDH1A1PKMKLK7
SCHEMBL10690937 0.81 CASR (0.62) KMT2ATSHRALDH1A1PKMCASR

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