SCHEMBL1646337

SCHEMBL1646337

COc1cc(O)ccc1C=CC(=O)CC(=O)C=Cc1cc(OCc2ccccc2)ccc1-c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.73
APP P05067 3/20 0.61
MAPT P10636 2/20 0.57
AKR1B10 O60218 3/20 0.53
AKR1B1 P15121 3/20 0.53
HDAC8 Q9BY41 1/20 0.50
PTPN1 P18031 1/20 0.49
GSK3B P49841 1/20 0.48
CAPN1 P07384 1/20 0.47
CTSB P07858 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
SCHEMBL1646332 1.00 BACE1 (0.73) BACE1APPMAPTAKR1B10AKR1B1
SCHEMBL1646432 0.89 APP (0.74) BACE1APPMAPTAKR1B10AKR1B1
SCHEMBL1646433 0.89 APP (0.74) BACE1APPMAPTAKR1B10AKR1B1
SCHEMBL1648000 0.85 BACE1 (1.00) BACE1APPMAPTGSK3B
SCHEMBL1647997 0.85 BACE1 (1.00) BACE1APPMAPTGSK3B
SCHEMBL1648577 0.85 BACE1 (0.74) BACE1APPMAPTAKR1B10AKR1B1
SCHEMBL1648575 0.85 BACE1 (0.74) BACE1APPMAPTAKR1B10AKR1B1
SCHEMBL18559977 0.79 HDAC8 (0.69) BACE1APPMAPTAKR1B10AKR1B1
SCHEMBL18538447 0.79 HDAC8 (0.65) APPMAPTAKR1B10AKR1B1HDAC8
SCHEMBL9234919 0.78 APP (1.00) BACE1APPMAPTAKR1B10AKR1B1

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