SCHEMBL8937277

SCHEMBL8937277

CCCOc1cccc(/C(=C\C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c2cccc(Cl)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
CYP1A2 P05177 1/20 0.50
LMNA P02545 2/20 0.48
HSD17B10 Q99714 2/20 0.47
TP53 P04637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
F10 P00742 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
SCHEMBL8937786 1.00 ALDH1A1 (0.50) ALDH1A1CYP1A2LMNAHSD17B10TP53
SCHEMBL8937280 1.00 ALDH1A1 (0.50) ALDH1A1CYP1A2LMNAHSD17B10TP53
SCHEMBL8937330 0.94 ALDH1A1 (0.51) ALDH1A1CYP1A2LMNAHSD17B10TP53
SCHEMBL8937326 0.94 ALDH1A1 (0.51) ALDH1A1CYP1A2LMNAHSD17B10TP53
SCHEMBL8937673 0.94 ALDH1A1 (0.51) ALDH1A1CYP1A2LMNAHSD17B10TP53
SCHEMBL8937623 0.92 ALDH1A1 (0.58) ALDH1A1CYP1A2LMNAHSD17B10TP53
SCHEMBL8937626 0.92 ALDH1A1 (0.58) ALDH1A1CYP1A2LMNAHSD17B10TP53
SCHEMBL8937619 0.92 ALDH1A1 (0.58) ALDH1A1CYP1A2LMNAHSD17B10TP53
SCHEMBL8937348 0.91 HPGD (0.53) ALDH1A1CYP1A2LMNAHSD17B10L3MBTL1
SCHEMBL8937351 0.91 HPGD (0.53) ALDH1A1CYP1A2LMNAHSD17B10L3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0395446-B1 N-acryloylpiperazine derivatives, their preparation and their use as paf antagonists SANKYO CO (JP) 1995-03-01 EP claimed
EP-0395446-A2 N-acryloylpiperazine derivatives, their preparation and their use as paf antagonists Sankyo Company Limited (JP) 1990-10-31 EP claimed
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