SCHEMBL1648694

SCHEMBL1648694

O=C(C=Cc1ccc(O)cc1)CC(=O)C=Cc1ccccc1-c1cnnn1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.58
P2RX7 Q99572 1/20 0.46
AKR1B10 O60218 1/20 0.45
AKR1B1 P15121 1/20 0.45
MAOB P27338 1/20 0.45
PTGS2 P35354 1/20 0.45
GLO1 Q04760 1/20 0.45
CAMK2A Q9UQM7 1/20 0.45

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
SCHEMBL1648691 1.00 BACE1 (0.58) BACE1P2RX7AKR1B10AKR1B1MAOB
SCHEMBL1648695 0.82 BACE1 (0.52) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL1648699 0.82 BACE1 (0.52) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL1648299 0.82 BACE1 (0.58) BACE1P2RX7AKR1B10AKR1B1MAOB
SCHEMBL1648295 0.82 BACE1 (0.58) BACE1P2RX7AKR1B10AKR1B1MAOB
SCHEMBL1647353 0.78 BACE1 (0.60) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL1647351 0.78 BACE1 (0.60) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL1646727 0.75 BACE1 (1.00) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL1646725 0.75 BACE1 (1.00) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL1646429 0.75 P2RX7 (0.60) P2RX7

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