SCHEMBL1648577

SCHEMBL1648577

COc1cc(O)ccc1C=CC(=O)CC(=O)C=Cc1cc(OCc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.74
APP P05067 3/20 0.58
MAPT P10636 3/20 0.56
AKR1B10 O60218 2/20 0.53
AKR1B1 P15121 2/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL1648575 1.00 BACE1 (0.74) BACE1APPMAPTAKR1B10AKR1B1
SCHEMBL1646352 0.86 BACE1 (0.76) BACE1APPMAPTAKR1B10AKR1B1
SCHEMBL1646358 0.86 BACE1 (0.76) BACE1APPMAPTAKR1B10AKR1B1
SCHEMBL1648440 0.85 BACE1 (1.00) BACE1NPC1RAB9ASMN1; SMN2
SCHEMBL1648443 0.85 BACE1 (1.00) BACE1NPC1RAB9ASMN1; SMN2
SCHEMBL1646337 0.85 BACE1 (0.73) BACE1APPMAPTAKR1B10AKR1B1
SCHEMBL1646332 0.85 BACE1 (0.73) BACE1APPMAPTAKR1B10AKR1B1
SCHEMBL1646231 0.82 BACE1 (0.82) BACE1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1646226 0.82 BACE1 (0.82) BACE1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1648284 0.81 BACE1 (0.77) BACE1NPC1RAB9ASMN1; SMN2

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