SCHEMBL1645461

SCHEMBL1645461

COc1cc(O)ccc1C=CC(=O)CC(=O)C=Cc1ccc(N(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.73
APP P05067 3/20 0.66
PTGS2 P35354 1/20 0.62
MAPT P10636 2/20 0.55
MMP9 P14780 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
SCHEMBL1645458 1.00 BACE1 (0.73) BACE1APPPTGS2MAPTMMP9
SCHEMBL1650914 0.86 PTGS2 (0.82) BACE1PTGS2MAPT
SCHEMBL1650911 0.86 PTGS2 (0.82) BACE1PTGS2MAPT
SCHEMBL3211811 0.85 BACE1 (1.00) BACE1APPPTGS2MAPTMMP9
SCHEMBL3211232 0.85 BACE1 (1.00) BACE1APPPTGS2MAPTMMP9
SCHEMBL3211817 0.85 BACE1 (1.00) BACE1APPPTGS2MAPTMMP9
SCHEMBL3211218 0.85 BACE1 (1.00) BACE1APPPTGS2MAPTMMP9
SCHEMBL1648423 0.84 BACE1 (1.00) BACE1PTGS2
SCHEMBL1648421 0.84 BACE1 (1.00) BACE1PTGS2
SCHEMBL1646352 0.84 BACE1 (0.76) BACE1APPMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552220-B2 Therapeutic agent for Alzheimer's disease TOKYO INSTITUTE OF TECHNOLOGY (JP) 2013-10-08 US disclosed
EP-2305629-A1 THERAPEUTIC AGENT FOR ALZHEIMER'S DISEASE Tokyo Institute of Technology (JP) 2011-04-06 EP disclosed