SCHEMBL8937334

SCHEMBL8937334

COc1ccc(/C(=C\C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c2ccc(C)cc2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 1/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP1A2 P05177 1/20 0.56
TP53 P04637 1/20 0.54
POLB P06746 2/20 0.54
CYP2C19 P33261 1/20 0.53
NPC1 O15118 1/20 0.53
GAA P10253 2/20 0.51
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 1/20 0.50
ATM Q13315 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
SCHEMBL8937342 1.00 ALDH1A1 (0.58) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL8937338 1.00 ALDH1A1 (0.58) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL8937573 0.94 ALDH1A1 (0.64) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL8937244 0.91 ALDH1A1 (0.72) ALDH1A1L3MBTL1KDM4ECYP1A2TP53
SCHEMBL8937708 0.91 ALDH1A1 (0.70) ALDH1A1L3MBTL1LMNASMN1; SMN2KDM4E
SCHEMBL8937251 0.91 ALDH1A1 (0.72) ALDH1A1L3MBTL1KDM4ECYP1A2TP53
SCHEMBL8937249 0.91 ALDH1A1 (0.72) ALDH1A1L3MBTL1KDM4ECYP1A2TP53
SCHEMBL8937707 0.91 ALDH1A1 (0.70) ALDH1A1L3MBTL1LMNASMN1; SMN2KDM4E
SCHEMBL8937492 0.90 ALDH1A1 (0.59) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL8937575 0.90 ALDH1A1 (0.59) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT

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