SCHEMBL8937271

SCHEMBL8937271

COc1ccc(/C(=C\C(=O)O)c2cccc(Br)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HPGD P15428 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42

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
SCHEMBL8937278 1.00 CES2 (0.47) CES2CES1LMNAMEN1MAPT
SCHEMBL8937300 1.00 CES2 (0.47) CES2CES1LMNAMEN1MAPT
SCHEMBL4390225 0.85 CES2 (0.65) CES2CES1MEN1MAPTKMT2A
SCHEMBL4394754 0.85 CES2 (0.65) CES2CES1MEN1MAPTKMT2A
SCHEMBL4394758 0.85 CES2 (0.65) CES2CES1MEN1MAPTKMT2A
SCHEMBL2284191 0.84 PDE4A (0.46) CES2CES1LMNAMEN1MAPT
SCHEMBL7862071 0.84 PDE4A (0.46) CES2CES1LMNAMEN1MAPT
SCHEMBL2284188 0.84 PDE4A (0.46) CES2CES1LMNAMEN1MAPT
SCHEMBL8937491 0.83 ALDH1A1 (0.60) CES2CES1LMNAMEN1MAPT
SCHEMBL8937442 0.83 GRM5 (0.49) CES2CES1LMNAMEN1MAPT

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