SCHEMBL10690147

SCHEMBL10690147

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.59
RAB9A P51151 3/20 0.58
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 4/20 0.54
EPHX2 P34913 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TSHR P16473 1/20 0.52
HIF1A Q16665 1/20 0.52
CASR P41180 1/20 0.52
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX12 P18054 1/20 0.50
CYP2C19 P33261 1/20 0.50
NPSR1 Q6W5P4 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
SCHEMBL744864 0.94 NPC1 (0.59) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL13569360 0.87 NPC1 (0.61) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL10691686 0.86 FPR2 (0.60) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL10693154 0.81 NPC1 (0.54) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL10690915 0.81 MEN1 (0.54) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL10694723 0.81 ALDH1A1 (0.56) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL28014053 0.79 NPC1 (0.54) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL14254916 0.79 NPC1 (0.61) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL16562080 0.79 NPC1 (0.77) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL506516 0.77 HDAC3 (0.60) NPC1RAB9AMEN1KMT2AALDH1A1

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