SCHEMBL10694773

SCHEMBL10694773

O=C(Cc1ccccc1)OC(C(=O)NCCc1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
MMP8 P22894 1/20 0.46
CA12 O43570 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX1 P07099 1/20 0.44
OPRK1 P41145 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX12 P18054 1/20 0.44
CYP2C19 P33261 1/20 0.44
LTA4H P09960 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL10689506 0.88 MMP8 (0.48) MAPTMMP8CA12CA2CA9
SCHEMBL9501899 0.87 MMP8 (0.50) MAPTMMP8CA12CA2CA9
SCHEMBL10692273 0.84 TSHR (0.43) ALDH1A1HPGDSMN1; SMN2
SCHEMBL10692779 0.80 POLB (0.61) MMP8NPC1RAB9AHPGDPOLB
SCHEMBL10693248 0.79 TAAR1 (0.49) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL8460589 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2
SCHEMBL10694706 0.78 POLB (0.56) MMP8ALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL10693892 0.78 SMN1; SMN2 (0.57) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10692612 0.76 L3MBTL1 (0.47) MAPTALDH1A1POLBSMN1; SMN2
SCHEMBL13569353 0.76 CA12 (0.56) MAPTMMP8CA12CA2CA9

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