SCHEMBL8937439

SCHEMBL8937439

COc1ccc(/C(=C/C(=O)O)c2cccc(Cl)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.49
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RELA Q04206 1/20 0.46
KCNK9 Q9NPC2 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL8937436 1.00 GRM5 (0.49) GRM5RAB9ANPC1CES2CES1
SCHEMBL8937442 1.00 GRM5 (0.49) GRM5RAB9ANPC1CES2CES1
SCHEMBL8937419 0.90 NPC1 (0.56) GRM5RAB9ANPC1CES2CES1
SCHEMBL8937425 0.90 NPC1 (0.56) GRM5RAB9ANPC1CES2CES1
SCHEMBL8937430 0.90 NPC1 (0.56) GRM5RAB9ANPC1CES2CES1
SCHEMBL8937361 0.87 HPGD (0.50) RAB9ACES2CES1HPGDMAPT
SCHEMBL8937315 0.87 HPGD (0.50) RAB9ACES2CES1HPGDMAPT
SCHEMBL8937358 0.87 HPGD (0.50) RAB9ACES2CES1HPGDMAPT
SCHEMBL4394754 0.85 CES2 (0.65) RAB9ANPC1CES2CES1HPGD
SCHEMBL4390225 0.85 CES2 (0.65) RAB9ANPC1CES2CES1HPGD

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