SCHEMBL1647362

SCHEMBL1647362

COCOc1ccc(Br)c(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)c1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.71
AKR1B1 P15121 2/20 0.50
MAOB P27338 2/20 0.50
AKR1B10 O60218 1/20 0.50
PTGS2 P35354 1/20 0.50
GLO1 Q04760 1/20 0.50
CAMK2A Q9UQM7 1/20 0.50
ABCB1 P08183 1/20 0.49
MAOA P21397 1/20 0.49

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
SCHEMBL1647359 1.00 BACE1 (0.71) BACE1AKR1B1MAOBAKR1B10PTGS2
SCHEMBL1645651 0.84 BACE1 (0.80) BACE1
SCHEMBL1647116 0.84 BACE1 (0.67) BACE1AKR1B1MAOBAKR1B10PTGS2
SCHEMBL1645647 0.84 BACE1 (0.80) BACE1
SCHEMBL1647113 0.84 BACE1 (0.67) BACE1AKR1B1MAOBAKR1B10PTGS2
SCHEMBL1646956 0.83 BACE1 (1.00) BACE1
SCHEMBL1646957 0.83 BACE1 (1.00) BACE1
SCHEMBL1648589 0.81 BACE1 (1.00) BACE1AKR1B1MAOBAKR1B10PTGS2
SCHEMBL1648591 0.81 BACE1 (1.00) BACE1AKR1B1MAOBAKR1B10PTGS2
SCHEMBL3220582 0.76 BACE1 (1.00) BACE1AKR1B1MAOBABCB1MAOA

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