SCHEMBL8937458

SCHEMBL8937458

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
PDE4A P27815 2/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
KCNK3 O14649 1/20 0.40
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8937470 1.00 HPGD (0.45) HPGDCA1CA2RAB9AMAPT
SCHEMBL8937465 1.00 HPGD (0.45) HPGDCA1CA2RAB9AMAPT
SCHEMBL8937315 0.92 HPGD (0.50) HPGDCA1CA2RAB9AMAPT
SCHEMBL8937358 0.92 HPGD (0.50) HPGDCA1CA2RAB9AMAPT
SCHEMBL8937361 0.92 HPGD (0.50) HPGDCA1CA2RAB9AMAPT
SCHEMBL8937283 0.90 CA1 (0.49) HPGDCA1CA2RAB9AMAPT
SCHEMBL8937287 0.90 CA1 (0.49) HPGDCA1CA2RAB9AMAPT
SCHEMBL8937285 0.90 CA1 (0.49) HPGDCA1CA2RAB9AMAPT
SCHEMBL8937383 0.86 MAOB (0.44) HPGDRAB9AMAPTMAOBMAOA
SCHEMBL8937387 0.86 MAOB (0.44) HPGDRAB9AMAPTMAOBMAOA

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