SCHEMBL1646992

SCHEMBL1646992

CN(C)c1ccc(C=CC(=O)CC(=O)CCc2ccc(O)cc2)c(C(F)(F)F)c1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.73
ALOX5 P09917 1/20 0.38
MMP8 P22894 1/20 0.38
APP P05067 1/20 0.38

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
SCHEMBL1646989 1.00 BACE1 (0.73) BACE1ALOX5MMP8APP
SCHEMBL1648689 0.85 BACE1 (0.69) BACE1APP
SCHEMBL1648685 0.85 BACE1 (0.69) BACE1APP
SCHEMBL1645750 0.84 BACE1 (1.00) BACE1ALOX5MMP8APP
SCHEMBL1645753 0.84 BACE1 (1.00) BACE1ALOX5MMP8APP
SCHEMBL1646127 0.82 BACE1 (1.00) BACE1
SCHEMBL1646124 0.82 BACE1 (1.00) BACE1
SCHEMBL3216611 0.74 BACE1 (0.61) BACE1ALOX5
SCHEMBL3216595 0.74 BACE1 (0.61) BACE1ALOX5
SCHEMBL1645494 0.73 BACE1 (1.00) BACE1ALOX5APP

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