SCHEMBL1645401

SCHEMBL1645401

COc1ccc(O)cc1/C=C/C(=O)CC(=O)/C=C/c1cc(O)ccc1Br

nearest known ligand 0.84

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.84
APP P05067 3/20 0.67
MAPT P10636 2/20 0.67
CAPN1 P07384 1/20 0.59
NFE2L2 Q16236 2/20 0.55
ABCB1 P08183 1/20 0.50
AKR1B1 P15121 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
PTPN1 P18031 1/20 0.50
DPP4 P27487 1/20 0.50

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
SCHEMBL1645403 1.00 BACE1 (0.84) BACE1APPMAPTCAPN1NFE2L2
SCHEMBL3218840 0.92 BACE1 (1.00) BACE1APPMAPTCAPN1NFE2L2
SCHEMBL3218814 0.92 BACE1 (1.00) BACE1APPMAPTCAPN1NFE2L2
SCHEMBL1647560 0.91 APP (0.82) BACE1APPMAPTCAPN1NFE2L2
SCHEMBL1647558 0.91 APP (0.82) BACE1APPMAPTCAPN1NFE2L2
SCHEMBL1647145 0.87 BACE1 (0.85) BACE1APPMAPTAKR1B1MAOB
SCHEMBL1647148 0.87 BACE1 (0.85) BACE1APPMAPTAKR1B1MAOB
SCHEMBL3200576 0.85 BACE1 (0.86) BACE1APPMAPTCAPN1ABCB1
SCHEMBL3200593 0.85 BACE1 (0.86) BACE1APPMAPTCAPN1ABCB1
SCHEMBL1646655 0.83 BACE1 (0.74) BACE1APPMAPTAKR1B1MAOB

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