SCHEMBL1647003

SCHEMBL1647003

O=C(C=Cc1ccc(O)cc1Cl)CC(=O)C=Cc1cc(O)ccc1[N+](=O)[O-]

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.82
TTR P02766 1/20 0.49
APP P05067 1/20 0.47

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
SCHEMBL1646999 1.00 BACE1 (0.82) BACE1TTRAPP
SCHEMBL1648673 0.90 BACE1 (1.00) BACE1APP
SCHEMBL1648672 0.90 BACE1 (1.00) BACE1APP
SCHEMBL1646654 0.86 BACE1 (1.00) BACE1TTRAPP
SCHEMBL1646653 0.86 BACE1 (1.00) BACE1TTRAPP
SCHEMBL1647006 0.84 BACE1 (1.00) BACE1
SCHEMBL1647008 0.84 BACE1 (1.00) BACE1
SCHEMBL1646352 0.81 BACE1 (0.76) BACE1APP
SCHEMBL1646358 0.81 BACE1 (0.76) BACE1APP
SCHEMBL1647009 0.80 BACE1 (1.00) BACE1

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