SCHEMBL8937530

SCHEMBL8937530

CCOC(=O)C=Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.59
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
TTR P02766 1/20 0.58
DPP4 P27487 1/20 0.58
MAOB P27338 1/20 0.52
FDPS P14324 1/20 0.50
PTGS2 P35354 1/20 0.50
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48

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
SCHEMBL8937527 1.00 CYP3A4 (0.59) CYP3A4CA12CA1CA2CA7
SCHEMBL13985071 0.88 PTGS2 (0.53) CYP3A4CA12CA1CA2CA7
SCHEMBL4755064 0.88 PTGS2 (0.53) CYP3A4CA12CA1CA2CA7
SCHEMBL4755061 0.88 PTGS2 (0.53) CYP3A4CA12CA1CA2CA7
SCHEMBL15456688 0.85 CYP3A4 (0.49) CYP3A4CA12CA1CA2CA7
SCHEMBL24737365 0.84 MAPT (0.65) CYP3A4CA12CA1CA2CA7
SCHEMBL564015 0.84 MAPT (0.65) CYP3A4CA12CA1CA2CA7
SCHEMBL564016 0.84 MAPT (0.65) CYP3A4CA12CA1CA2CA7
SCHEMBL29879082 0.84 MAPT (0.65) CYP3A4CA12CA1CA2CA7
SCHEMBL9515240 0.83 CYP3A4 (0.56) CYP3A4CA12CA1CA2CA7

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
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
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