SCHEMBL8937331

SCHEMBL8937331

CCCCOc1ccc(/C(=C\C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c2ccccc2)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
CYP1A2 P05177 1/20 0.58
HSD17B10 Q99714 2/20 0.53
HPGD P15428 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
TP53 P04637 1/20 0.49
KDM4E B2RXH2 1/20 0.48
SLC29A1 Q99808 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48

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
SCHEMBL8937335 1.00 ALDH1A1 (0.58) ALDH1A1CYP1A2HSD17B10HPGDL3MBTL1
SCHEMBL8937329 1.00 ALDH1A1 (0.58) ALDH1A1CYP1A2HSD17B10HPGDL3MBTL1
SCHEMBL8937601 0.95 HPGD (0.60) ALDH1A1CYP1A2HSD17B10HPGDL3MBTL1
SCHEMBL8937598 0.95 HPGD (0.60) ALDH1A1CYP1A2HSD17B10HPGDL3MBTL1
SCHEMBL8937541 0.94 ALDH1A1 (0.59) ALDH1A1CYP1A2HSD17B10HPGDL3MBTL1
SCHEMBL8937537 0.94 ALDH1A1 (0.59) ALDH1A1CYP1A2HSD17B10HPGDL3MBTL1
SCHEMBL8937413 0.92 ALDH1A1 (0.61) ALDH1A1CYP1A2HSD17B10HPGDL3MBTL1
SCHEMBL8937410 0.92 ALDH1A1 (0.61) ALDH1A1CYP1A2HSD17B10HPGDL3MBTL1
SCHEMBL8937415 0.92 ALDH1A1 (0.61) ALDH1A1CYP1A2HSD17B10HPGDL3MBTL1
SCHEMBL8937707 0.89 ALDH1A1 (0.70) ALDH1A1CYP1A2L3MBTL1MEN1KMT2A

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
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