SCHEMBL8937580

SCHEMBL8937580

COc1cc(C(=O)N2CCN(C(=O)/C=C(/c3ccc(F)cc3)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.62
ALDH1A1 P00352 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
CYP1A2 P05177 1/20 0.58
POLB P06746 1/20 0.56
GAA P10253 1/20 0.53
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL8937441 1.00 PKM (0.62) PKMALDH1A1L3MBTL1CYP1A2POLB
SCHEMBL8937437 1.00 PKM (0.62) PKMALDH1A1L3MBTL1CYP1A2POLB
SCHEMBL8937622 0.99 PKM (0.64) PKMALDH1A1L3MBTL1CYP1A2POLB
SCHEMBL8937225 0.90 ALDH1A1 (0.67) PKMALDH1A1L3MBTL1CYP1A2POLB
SCHEMBL8937224 0.90 ALDH1A1 (0.67) PKMALDH1A1L3MBTL1CYP1A2POLB
SCHEMBL8937354 0.90 ALDH1A1 (0.67) PKMALDH1A1L3MBTL1CYP1A2POLB
SCHEMBL8937620 0.88 ALDH1A1 (0.79) ALDH1A1L3MBTL1CYP1A2POLBGAA
SCHEMBL8937452 0.87 ALDH1A1 (0.62) ALDH1A1L3MBTL1CYP1A2POLBGAA
SCHEMBL8937573 0.87 ALDH1A1 (0.64) ALDH1A1L3MBTL1CYP1A2POLBGAA
SCHEMBL8937717 0.87 ALDH1A1 (0.78) ALDH1A1L3MBTL1CYP1A2POLBGAA

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