SCHEMBL8937502

SCHEMBL8937502

COc1ccc(C(=CC(=O)O)c2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.63
PDE4B Q07343 9/20 0.63
PDE4C Q08493 9/20 0.63
PDE4D Q08499 9/20 0.63
ALDH1A1 P00352 2/20 0.62
GAA P10253 1/20 0.62
TNFRSF1A P19438 2/20 0.56
ABCG2 Q9UNQ0 1/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA7 P43166 1/20 0.56
TPMT P51580 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 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
SCHEMBL8937499 1.00 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8937497 1.00 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL9367554 0.94 CA12 (0.62) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL5962285 0.92 CA12 (0.65) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4824809 0.90 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8321951 0.90 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL4824805 0.90 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL10455030 0.89 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL10455031 0.89 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL8937325 0.88 CTNNB1 (0.57) PDE4APDE4BPDE4CPDE4DALDH1A1

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