SCHEMBL10693154

SCHEMBL10693154

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.54
RAB9A P51151 4/20 0.53
CASR P41180 1/20 0.51
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
EPHX2 P34913 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 1/20 0.46
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL10691473 0.89 RIPK1 (0.53) RAB9AALDH1A1CYP2C9HPGD
SCHEMBL10693892 0.88 SMN1; SMN2 (0.57) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL10694465 0.87 SMN1; SMN2 (0.54) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL10692204 0.86 ALDH1A1 (0.49) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL10692252 0.86 MEN1 (0.46) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL13569360 0.82 NPC1 (0.61) NPC1RAB9ACASRALDH1A1MEN1
SCHEMBL10690147 0.81 NPC1 (0.59) NPC1RAB9ACASRALDH1A1MEN1
SCHEMBL10694507 0.78 CNR1 (0.40) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL744864 0.76 NPC1 (0.59) NPC1RAB9ACASRALDH1A1MEN1
SCHEMBL9501899 0.76 MMP8 (0.50) NPC1RAB9AALDH1A1CYP1A2CYP2C9

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 claimed
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