SCHEMBL1646433

SCHEMBL1646433

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

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.74
BACE1 P56817 11/20 0.68
MAPT P10636 3/20 0.61
AKR1B10 O60218 4/20 0.56
AKR1B1 P15121 4/20 0.56
NFE2L2 Q16236 1/20 0.56
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
TDP1 Q9NUW8 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
SCHEMBL1646432 1.00 APP (0.74) APPBACE1MAPTAKR1B10AKR1B1
SCHEMBL1646332 0.89 BACE1 (0.73) APPBACE1MAPTAKR1B10AKR1B1
SCHEMBL1646337 0.89 BACE1 (0.73) APPBACE1MAPTAKR1B10AKR1B1
SCHEMBL9234911 0.86 APP (1.00) APPBACE1MAPTAKR1B10AKR1B1
SCHEMBL9234919 0.86 APP (1.00) APPBACE1MAPTAKR1B10AKR1B1
SCHEMBL1648281 0.81 BACE1 (1.00) BACE1AKR1B10AKR1B1
SCHEMBL1648285 0.81 BACE1 (1.00) BACE1AKR1B10AKR1B1
SCHEMBL1646522 0.81 APP (0.89) APPBACE1MAPTAKR1B10AKR1B1
SCHEMBL1646523 0.81 APP (0.89) APPBACE1MAPTAKR1B10AKR1B1
SCHEMBL1647560 0.80 APP (0.82) APPBACE1MAPTAKR1B10AKR1B1

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