SCHEMBL8937553

SCHEMBL8937553

COc1ccc(/C(=C/C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)c2cccc(Br)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
CYP1A2 P05177 1/20 0.56
GPR183 P32249 2/20 0.48
KCNH2 Q12809 1/20 0.48
POLB P06746 1/20 0.48
TP53 P04637 3/20 0.48
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 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
SCHEMBL8937561 1.00 ALDH1A1 (0.64) ALDH1A1L3MBTL1CYP1A2GPR183KCNH2
SCHEMBL8937620 0.90 ALDH1A1 (0.79) ALDH1A1L3MBTL1CYP1A2GPR183POLB
SCHEMBL8937542 0.88 ALDH1A1 (0.64) ALDH1A1L3MBTL1CYP1A2POLBTP53
SCHEMBL8937471 0.88 ALDH1A1 (0.64) ALDH1A1L3MBTL1CYP1A2POLBTP53
SCHEMBL8937535 0.88 ALDH1A1 (0.64) ALDH1A1L3MBTL1CYP1A2POLBTP53
SCHEMBL8937467 0.88 ALDH1A1 (0.64) ALDH1A1L3MBTL1CYP1A2POLBTP53
SCHEMBL8937460 0.88 ALDH1A1 (0.64) ALDH1A1L3MBTL1CYP1A2POLBTP53
SCHEMBL8937251 0.88 ALDH1A1 (0.72) ALDH1A1L3MBTL1CYP1A2GPR183POLB
SCHEMBL8937249 0.88 ALDH1A1 (0.72) ALDH1A1L3MBTL1CYP1A2GPR183POLB
SCHEMBL8937244 0.88 ALDH1A1 (0.72) ALDH1A1L3MBTL1CYP1A2GPR183POLB

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 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
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