SCHEMBL1646259

SCHEMBL1646259

O=C(/C=C/c1ccc(O)cc1)CC(=O)/C=C/c1cccc(O)c1Br

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.63
AKR1B1 P15121 1/20 0.63
MAOB P27338 1/20 0.63
PTGS2 P35354 1/20 0.63
GLO1 Q04760 1/20 0.63
CAMK2A Q9UQM7 1/20 0.63
BACE1 P56817 19/20 0.63

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
SCHEMBL1646261 1.00 AKR1B10 (0.63) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL3222909 0.85 BACE1 (0.69) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL3222897 0.85 BACE1 (0.69) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL3213868 0.85 BACE1 (0.72) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL3213881 0.85 BACE1 (0.72) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL1645394 0.82 BACE1 (0.74) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL1645390 0.82 BACE1 (0.74) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL3222119 0.80 AKR1B1 (0.73) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL3222128 0.80 AKR1B1 (0.73) AKR1B10AKR1B1MAOBPTGS2GLO1
SCHEMBL3222894 0.80 BACE1 (0.78) AKR1B10AKR1B1MAOBPTGS2GLO1

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