SCHEMBL10691686

SCHEMBL10691686

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

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.60
TAAR1 Q96RJ0 2/20 0.59
NPC1 O15118 1/20 0.59
GAA P10253 1/20 0.59
RAB9A P51151 1/20 0.59
PLAAT3 P53816 2/20 0.59
PLAAT5 Q96KN8 2/20 0.59
PLAAT2 Q9NWW9 2/20 0.59
PLAAT4 Q9UL19 2/20 0.59
PTPN1 P18031 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
ATM Q13315 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
P2RX4 Q99571 1/20 0.54
GLA P06280 1/20 0.53

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
SCHEMBL10690147 0.86 NPC1 (0.59) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL10690539 0.85 CNR1 (0.62) TAAR1NPC1RAB9APLAAT5PLAAT4
SCHEMBL10695001 0.83 ALDH1A1 (0.62) NPC1RAB9APLAAT3PLAAT5PLAAT2
SCHEMBL10693892 0.82 SMN1; SMN2 (0.57) FPR2TAAR1NPC1GAARAB9A
SCHEMBL744864 0.81 NPC1 (0.59) NPC1RAB9AKMT2AMEN1ATM
SCHEMBL140038 0.79 SMN1; SMN2 (0.67) FPR2TAAR1SMN1; SMN2KMT2AALDH1A1
SCHEMBL4583404 0.78 SMN1; SMN2 (0.75) FPR2TAAR1NPC1GAARAB9A
SCHEMBL2335992 0.77 KMT2A (0.71) FPR2TAAR1NPC1GAARAB9A
SCHEMBL2746054 0.77 SMN1; SMN2 (0.65) FPR2TAAR1NPC1GAARAB9A
SCHEMBL3661534 0.77 SMN1; SMN2 (0.60) FPR2TAAR1NPC1GAARAB9A

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