SCHEMBL1646352

SCHEMBL1646352

COc1cc(O)ccc1/C=C/C(=O)CC(=O)/C=C/c1cc(O)ccc1[N+](=O)[O-]

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 15/20 0.76
APP P05067 4/20 0.76
MAPT P10636 3/20 0.62
CTSL P07711 1/20 0.54
CTSB P07858 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
AKR1B10 O60218 1/20 0.53
AKR1B1 P15121 1/20 0.53

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
SCHEMBL1646358 1.00 BACE1 (0.76) BACE1APPMAPTCTSLCTSB
SCHEMBL1648672 0.87 BACE1 (1.00) BACE1APP
SCHEMBL1648673 0.87 BACE1 (1.00) BACE1APP
SCHEMBL9234911 0.87 APP (1.00) BACE1APPMAPTCTSLCTSB
SCHEMBL9234919 0.87 APP (1.00) BACE1APPMAPTCTSLCTSB
SCHEMBL1648575 0.86 BACE1 (0.74) BACE1APPMAPTAKR1B10AKR1B1
SCHEMBL1648577 0.86 BACE1 (0.74) BACE1APPMAPTAKR1B10AKR1B1
SCHEMBL1646697 0.85 BACE1 (1.00) BACE1APPMAPTTDP1AKR1B1
SCHEMBL1645650 0.85 BACE1 (1.00) BACE1APPMAPTTDP1
SCHEMBL1645648 0.85 BACE1 (1.00) BACE1APPMAPTTDP1

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