SCHEMBL8937283

SCHEMBL8937283

COc1ccc(/C(=C\C(=O)O)c2cc(C)cc(C)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
PDE4A P27815 3/20 0.45
PDE4B Q07343 3/20 0.45
PDE4C Q08493 3/20 0.45
PDE4D Q08499 3/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
KCNK3 O14649 1/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44

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
SCHEMBL8937285 1.00 CA1 (0.49) CA1CA2CES2CES1FNTA
SCHEMBL8937287 1.00 CA1 (0.49) CA1CA2CES2CES1FNTA
SCHEMBL8937470 0.90 HPGD (0.45) CA1CA2CES2CES1PDE4A
SCHEMBL8937465 0.90 HPGD (0.45) CA1CA2CES2CES1PDE4A
SCHEMBL8937458 0.90 HPGD (0.45) CA1CA2CES2CES1PDE4A
SCHEMBL2019776 0.88 CA1 (0.61) CA1CA2CES2CES1KDM4E
SCHEMBL4394758 0.83 CES2 (0.65) CA1CA2CES2CES1KDM4E
SCHEMBL4394754 0.83 CES2 (0.65) CA1CA2CES2CES1KDM4E
SCHEMBL4390225 0.83 CES2 (0.65) CA1CA2CES2CES1KDM4E
SCHEMBL8937240 0.83 CA1 (0.47) CA1CA2CES2CES1PDE4A

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