SCHEMBL1648685

SCHEMBL1648685

CN(C)c1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)cc2)c(C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.69
AKR1B10 O60218 1/20 0.51
AKR1B1 P15121 1/20 0.51
MAOB P27338 1/20 0.51
PTGS2 P35354 1/20 0.51
GLO1 Q04760 1/20 0.51
CAMK2A Q9UQM7 1/20 0.51
APP P05067 1/20 0.51
MMP9 P14780 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
SCHEMBL1648689 1.00 BACE1 (0.69) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL1646989 0.85 BACE1 (0.73) BACE1APP
SCHEMBL1646992 0.85 BACE1 (0.73) BACE1APP
SCHEMBL1648226 0.83 BACE1 (0.70) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL1648223 0.83 BACE1 (0.70) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL1647373 0.82 BACE1 (1.00) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL1647372 0.82 BACE1 (1.00) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL3222733 0.81 MAOB (0.73) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL3222739 0.81 MAOB (0.73) BACE1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL3207911 0.80 BACE1 (1.00) BACE1AKR1B1MAOBAPPMMP9

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