SCHEMBL1646644

SCHEMBL1646644

O=C(C=Cc1ccc(O)cc1)CC(=O)C=Cc1cc(O)ccc1F

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.76
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

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
SCHEMBL1646643 1.00 BACE1 (0.76) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL1645697 0.89 BACE1 (0.69) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL1645696 0.89 BACE1 (0.69) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL1646764 0.86 BACE1 (1.00) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL1646767 0.86 BACE1 (1.00) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL1648579 0.85 BACE1 (0.68) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL1648580 0.85 BACE1 (0.68) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL3219193 0.84 AKR1B1 (0.71) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL3207773 0.84 BACE1 (1.00) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL3207763 0.84 BACE1 (1.00) 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