SCHEMBL8937548

SCHEMBL8937548

COc1ccc(C(=C(C)C(=O)O)c2ccc(OC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.61
CA2 P00918 6/20 0.61
CES2 O00748 2/20 0.57
CES1 P23141 2/20 0.57
PARP10 Q53GL7 2/20 0.53
PARP1 P09874 1/20 0.53
PARP2 Q9UGN5 1/20 0.53
PARP4 Q9UKK3 1/20 0.53
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.52
MAPK1 P28482 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
ESR1 P03372 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
CYP2C19 P33261 1/20 0.52
ADRA1A P35348 1/20 0.52

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
SCHEMBL6653882 0.86 CA1 (0.63) CA1CA2CES2CES1PARP10
SCHEMBL6653891 0.86 CA1 (0.63) CA1CA2CES2CES1PARP10
SCHEMBL6653888 0.86 CA1 (0.63) CA1CA2CES2CES1PARP10
SCHEMBL6299542 0.80 CES2 (0.61) CES2CES1PARP1ALDH1A1SMN1; SMN2
SCHEMBL2155200 0.78 NR1I2 (0.67) CA1CA2CES2CES1PARP10
SCHEMBL2155204 0.78 NR1I2 (0.67) CA1CA2CES2CES1PARP10
SCHEMBL2155196 0.78 NR1I2 (0.67) CA1CA2CES2CES1PARP10
SCHEMBL10603219 0.78 CES2 (0.57) CA1CA2CES2CES1MAPT
SCHEMBL2957320 0.78 ALDH1A1 (0.70) CA1CA2CES2CES1PARP10
1,4-Dimethoxybenzene SCHEMBL28051166 0.78 CA1 (0.68) CA1CA2CES2CES1PARP10

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