SCHEMBL1648696

SCHEMBL1648696

CCOC(=O)Cc1nn[nH]c1-c1ccccc1/C=C/C(=O)CC(=O)/C=C/c1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 0.52
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
MAOB P27338 1/20 0.41
PTGS2 P35354 1/20 0.41
GLO1 Q04760 1/20 0.41
CAMK2A Q9UQM7 1/20 0.41

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
SCHEMBL1645568 0.85 BACE1 (0.52) BACE1CA12CA1CA2CA7
SCHEMBL15295473 0.74 BACE1 (0.53) BACE1CA12CA1CA2CA7
SCHEMBL15295472 0.74 BACE1 (0.53) BACE1CA12CA1CA2CA7
SCHEMBL1645571 0.74 BACE1 (0.52) BACE1CA12CA1CA2CA7
SCHEMBL1645563 0.74 BACE1 (0.52) BACE1CA12CA1CA2CA7
SCHEMBL1645445 0.73 BACE1 (0.62) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL1645453 0.73 BACE1 (0.62) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL1648699 0.72 BACE1 (0.52) BACE1CA12CA1CA2CA7
SCHEMBL1648695 0.72 BACE1 (0.52) BACE1CA12CA1CA2CA7
SCHEMBL8467685 0.71 AKR1B1 (0.71) BACE1CA12CA1CA2CA7

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