SCHEMBL10690539

SCHEMBL10690539

O=C(NCCc1ccccc1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.62
CNR2 P34972 1/20 0.62
CA12 O43570 2/20 0.54
CA2 P00918 2/20 0.54
CA9 Q16790 2/20 0.54
MMP8 P22894 1/20 0.54
EPHX1 P07099 1/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
MLYCD O95822 1/20 0.52
PLAAT5 Q96KN8 1/20 0.51
PLAAT4 Q9UL19 1/20 0.51
CA1 P00915 1/20 0.51
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP3 P08254 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL10691686 0.85 FPR2 (0.60) NPC1RAB9AMAPTPLAAT5PLAAT4
SCHEMBL13569353 0.84 CA12 (0.56) CA12CA2CA9MMP8EPHX1
SCHEMBL7597614 0.79 CNR1 (0.62) CNR1CNR2NPC1RAB9APOLB
SCHEMBL10695001 0.79 ALDH1A1 (0.62) CA12CA2CA9NPC1RAB9A
SCHEMBL1709294 0.79 POLB (0.81) CA12CA2CA9MMP8EPHX1
SCHEMBL3833319 0.79 MLYCD (0.62) CA12CA2CA9MMP8EPHX1
SCHEMBL7601760 0.78 CNR1 (0.60) CNR1CNR2NPC1RAB9APOLB
SCHEMBL24671951 0.77 HTT (0.60) CNR1CNR2NPC1RAB9APOLB
SCHEMBL24306040 0.76 MMP8 (0.61) CA12CA2CA9MMP8EPHX1
SCHEMBL11782431 0.76 MLYCD (0.56) CA12CA2CA9MMP8EPHX1

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