SCHEMBL8937430

SCHEMBL8937430

COc1cccc(C(=CC(=O)O)c2cccc(Cl)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
GRM5 P41594 1/20 0.51
PARP1 P09874 1/20 0.50
MTNR1A P48039 3/20 0.49
MTNR1B P49286 3/20 0.49
CDYL2 Q8N8U2 1/20 0.48
CDYL Q9Y232 1/20 0.48
CDY1; CDY1B Q9Y6F8 1/20 0.48
MAOB P27338 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 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
SCHEMBL8937419 1.00 NPC1 (0.56) NPC1RAB9ACES2CES1GRM5
SCHEMBL8937425 1.00 NPC1 (0.56) NPC1RAB9ACES2CES1GRM5
SCHEMBL9396296 0.91 CES2 (0.62) NPC1RAB9ACES2CES1PARP1
SCHEMBL8937439 0.90 GRM5 (0.49) NPC1RAB9ACES2CES1GRM5
SCHEMBL8937436 0.90 GRM5 (0.49) NPC1RAB9ACES2CES1GRM5
SCHEMBL8937442 0.90 GRM5 (0.49) NPC1RAB9ACES2CES1GRM5
SCHEMBL8937297 0.86 PARP1 (0.55) NPC1RAB9APARP1MAOBMEN1
SCHEMBL8937289 0.83 PDE4A (0.51) NPC1RAB9ACES2CES1ABCG2
SCHEMBL8937284 0.83 PDE4A (0.51) NPC1RAB9ACES2CES1ABCG2
SCHEMBL8937291 0.83 PDE4A (0.51) NPC1RAB9ACES2CES1ABCG2

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