SCHEMBL8937609

SCHEMBL8937609

COc1cc(C(=O)N2CCN(C(=O)/C=C(\c3ccc(Cl)cc3)c3cccc(OC)c3OC)CC2)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
CYP1A2 P05177 1/20 0.54
LMNA P02545 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 2/20 0.53
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
POLB P06746 3/20 0.49
NPSR1 Q6W5P4 1/20 0.48
MGLL Q99685 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD11B1 P28845 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CDK5 Q00535 1/20 0.46
CDK5R1 Q15078 1/20 0.46

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
SCHEMBL8937763 1.00 ALDH1A1 (0.54) ALDH1A1CYP1A2LMNAL3MBTL1GAA
SCHEMBL8937613 1.00 ALDH1A1 (0.54) ALDH1A1CYP1A2LMNAL3MBTL1GAA
SCHEMBL8937452 0.90 ALDH1A1 (0.62) ALDH1A1CYP1A2LMNAL3MBTL1GAA
SCHEMBL8937538 0.85 LMNA (0.57) ALDH1A1CYP1A2LMNAL3MBTL1GAA
SCHEMBL8937534 0.85 LMNA (0.57) ALDH1A1CYP1A2LMNAL3MBTL1GAA
SCHEMBL8937543 0.85 LMNA (0.57) ALDH1A1CYP1A2LMNAL3MBTL1GAA
SCHEMBL1008454 0.85 HPGD (0.47) ALDH1A1CYP1A2LMNAL3MBTL1GAA
SCHEMBL8937494 0.83 ALDH1A1 (0.61) ALDH1A1CYP1A2LMNAL3MBTL1GAA
SCHEMBL8937496 0.83 ALDH1A1 (0.61) ALDH1A1CYP1A2LMNAL3MBTL1GAA
SCHEMBL8937500 0.83 ALDH1A1 (0.64) ALDH1A1CYP1A2LMNAL3MBTL1GAA

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 5 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
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