SCHEMBL8937428

SCHEMBL8937428

COc1cc(C(=O)N2CCN(C(=O)C=C(c3ccccc3)c3ccc4ccccc4c3)CC2)cc(OC)c1OC

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
CYP1A2 P05177 1/20 0.65
TP53 P04637 1/20 0.59
HSD17B10 Q99714 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.51
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
ABCB1 P08183 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
GAA P10253 1/20 0.48
AKR1C1 Q04828 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
SCHEMBL8937424 1.00 ALDH1A1 (0.65) ALDH1A1CYP1A2TP53HSD17B10L3MBTL1
SCHEMBL8937420 1.00 ALDH1A1 (0.65) ALDH1A1CYP1A2TP53HSD17B10L3MBTL1
SCHEMBL8937717 0.91 ALDH1A1 (0.78) ALDH1A1CYP1A2TP53HSD17B10L3MBTL1
SCHEMBL8937707 0.90 ALDH1A1 (0.70) ALDH1A1CYP1A2L3MBTL1SMN1; SMN2POLB
SCHEMBL8937708 0.90 ALDH1A1 (0.70) ALDH1A1CYP1A2L3MBTL1SMN1; SMN2POLB
SCHEMBL8937755 0.86 ALDH1A1 (0.70) ALDH1A1CYP1A2L3MBTL1SMN1; SMN2POLB
SCHEMBL8937758 0.86 ALDH1A1 (0.70) ALDH1A1CYP1A2L3MBTL1SMN1; SMN2POLB
SCHEMBL8937620 0.86 ALDH1A1 (0.79) ALDH1A1CYP1A2TP53HSD17B10L3MBTL1
SCHEMBL8937413 0.85 ALDH1A1 (0.61) ALDH1A1CYP1A2TP53HSD17B10L3MBTL1
SCHEMBL8937415 0.85 ALDH1A1 (0.61) ALDH1A1CYP1A2TP53HSD17B10L3MBTL1

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