SCHEMBL10690937

SCHEMBL10690937

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.62
NPC1 O15118 5/20 0.59
KMT2A Q03164 3/20 0.59
RAB9A P51151 3/20 0.58
ALDH1A1 P00352 5/20 0.57
PKM P14618 1/20 0.56
PLA2G1B P04054 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54
LMNA P02545 1/20 0.54
MEN1 O00255 2/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX12 P18054 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ATM Q13315 1/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL18134806 0.94 PLA2G1B (0.61) CASRNPC1KMT2ARAB9AALDH1A1
SCHEMBL10692723 0.86 GAA (0.62) NPC1KMT2ARAB9AALDH1A1MEN1
SCHEMBL4158853 0.85 KMT2A (0.57) KMT2APKMLMNAMEN1
SCHEMBL4158848 0.85 KMT2A (0.57) KMT2APKMLMNAMEN1
SCHEMBL4158947 0.85 KMT2A (0.57) KMT2APKMLMNAMEN1
SCHEMBL6258166 0.84 CASR (0.61) CASRNPC1KMT2ARAB9AALDH1A1
SCHEMBL9501925 0.84 MEN1 (0.75) NPC1KMT2ARAB9APKMMEN1
Hydrochloric Acid SCHEMBL27489902 0.83 CASR (0.60) CASRNPC1KMT2ARAB9AALDH1A1
SCHEMBL10638009 0.82 ALDH1A1 (0.59) NPC1KMT2ARAB9AALDH1A1PKM
SCHEMBL27665019 0.81 CASR (0.57) CASRNPC1KMT2ARAB9AALDH1A1

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