SCHEMBL1646183

SCHEMBL1646183

O=C(/C=C/c1ccc(O)cc1)CC(=O)/C=C/c1ccccc1Cl

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.74
AKR1B10 O60218 1/20 0.67
AKR1B1 P15121 1/20 0.67
MAOB P27338 1/20 0.67
PTGS2 P35354 1/20 0.67
GLO1 Q04760 1/20 0.67
CAMK2A Q9UQM7 1/20 0.67
MEN1 O00255 1/20 0.61
HSP90AA1 P07900 1/20 0.61
MAPT P10636 1/20 0.61
KMT2A Q03164 1/20 0.61
MAOA P21397 1/20 0.61
HDAC1 Q13547 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58

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
SCHEMBL1646186 1.00 BACE1 (0.74) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL16198364 0.87 HDAC1 (0.68) BACE1MAOBMEN1HSP90AA1MAPT
SCHEMBL16198365 0.87 HDAC1 (0.68) BACE1MAOBMEN1HSP90AA1MAPT
SCHEMBL1646222 0.85 BACE1 (1.00) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL1646218 0.85 BACE1 (1.00) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL3213881 0.84 BACE1 (0.72) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL3213868 0.84 BACE1 (0.72) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL1645508 0.83 BACE1 (0.72) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL1645509 0.83 BACE1 (0.72) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL1645506 0.83 BACE1 (0.72) BACE1AKR1B10AKR1B1MAOBPTGS2

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