SCHEMBL8937345

SCHEMBL8937345

COc1cc(C(=O)N2CCN(C(=O)C=C(c3cccs3)c3cccs3)CC2)cc(OC)c1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.59
CYP1A2 P05177 1/20 0.59
POLB P06746 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
LMNA P02545 3/20 0.55
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CDK5 Q00535 1/20 0.50
CDK5R1 Q15078 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
CASP7 P55210 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL8937399 0.94 ALDH1A1 (0.64) ALDH1A1CYP1A2POLBL3MBTL1LMNA
SCHEMBL8937395 0.94 ALDH1A1 (0.64) ALDH1A1CYP1A2POLBL3MBTL1LMNA
SCHEMBL8937717 0.82 ALDH1A1 (0.78) ALDH1A1CYP1A2POLBL3MBTL1LMNA
SCHEMBL8937573 0.80 ALDH1A1 (0.64) ALDH1A1CYP1A2POLBL3MBTL1LMNA
SCHEMBL8937758 0.80 ALDH1A1 (0.70) ALDH1A1CYP1A2POLBL3MBTL1SMN1; SMN2
SCHEMBL8937755 0.80 ALDH1A1 (0.70) ALDH1A1CYP1A2POLBL3MBTL1SMN1; SMN2
SCHEMBL8937620 0.79 ALDH1A1 (0.79) ALDH1A1CYP1A2POLBL3MBTL1LMNA
SCHEMBL8937449 0.79 ALDH1A1 (0.64) ALDH1A1CYP1A2POLBL3MBTL1LMNA
SCHEMBL8937452 0.78 ALDH1A1 (0.62) ALDH1A1CYP1A2POLBL3MBTL1LMNA
SCHEMBL8937622 0.78 PKM (0.64) ALDH1A1CYP1A2POLBL3MBTL1LMNA

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