SCHEMBL8937264

SCHEMBL8937264

COc1ccc(/C(=C\C(=O)O)c2cccc(C(F)(F)F)c2)cc1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.56
MAOB P27338 1/20 0.49
PDE4A P27815 3/20 0.48
PDE4B Q07343 3/20 0.48
PDE4C Q08493 3/20 0.48
PDE4D Q08499 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
SRD5A2 P31213 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA7 P43166 1/20 0.47
TPMT P51580 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47

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
SCHEMBL8937272 1.00 NQO2 (0.56) NQO2MAOBPDE4APDE4BPDE4C
SCHEMBL8937269 1.00 NQO2 (0.56) NQO2MAOBPDE4APDE4BPDE4C
SCHEMBL8937385 0.86 MAOB (0.56) MAOBNPSR1POLBMAPTSRD5A2
SCHEMBL8937390 0.86 MAOB (0.56) MAOBNPSR1POLBMAPTSRD5A2
SCHEMBL8937392 0.86 MAOB (0.56) MAOBNPSR1POLBMAPTSRD5A2
SCHEMBL9929088 0.84 CYP1A2 (0.65) NQO2MAOBNPSR1POLBMAPT
SCHEMBL10455031 0.84 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL10455030 0.84 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL5962285 0.84 CA12 (0.65) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL8937253 0.83 CTNNB1 (0.66) PDE4APDE4BPDE4CPDE4DPOLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5559109-A Method of treating a PAF-mediated pathology or for treating or preventing psoriasis, nephritis, asthma or shock by administering a PAF antagonist SANKKO COMPANY, LIMITED (JP) 1996-09-24 US disclosed
US-5556852-A PLATELET ACTIVATING FACTOR ANTAGONISTS SANKYO COMPANY, LIMITED (JP) 1996-09-17 US disclosed
EP-0395446-B1 N-acryloylpiperazine derivatives, their preparation and their use as paf antagonists SANKYO CO (JP) 1995-03-01 EP disclosed
US-5369106-A N-acryloylpiperazine derivatives, their preparation and their use of PAF antagonists SANKYO COMPANY, LIMITED (JP) 1994-11-29 US disclosed
US-5192766-A Platelet activating factor antagonist SANKYO COMPANY, LIMITED (JP) 1993-03-09 US disclosed
EP-0395446-A2 N-acryloylpiperazine derivatives, their preparation and their use as paf antagonists Sankyo Company Limited (JP) 1990-10-31 EP disclosed