SCHEMBL1646604

SCHEMBL1646604

COc1cc(O)ccc1C=CC(=O)CC(=O)C=Cc1ccc(O)cc1Cl

nearest known ligand 0.84

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.84
BACE1 P56817 13/20 0.76
MAPT P10636 2/20 0.67
CTSB P07858 4/20 0.59
CTSL P07711 3/20 0.59
TDP1 Q9NUW8 1/20 0.59
NFE2L2 Q16236 1/20 0.55
CAPN1 P07384 1/20 0.54

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
SCHEMBL1646600 1.00 APP (0.84) APPBACE1MAPTCTSBCTSL
SCHEMBL9234919 0.92 APP (1.00) APPBACE1MAPTCTSBCTSL
SCHEMBL9234911 0.92 APP (1.00) APPBACE1MAPTCTSBCTSL
SCHEMBL1648154 0.89 BACE1 (0.72) APPBACE1MAPTCTSBCTSL
SCHEMBL1648152 0.89 BACE1 (0.72) APPBACE1MAPTCTSBCTSL
SCHEMBL1646653 0.87 BACE1 (1.00) APPBACE1
SCHEMBL1646654 0.87 BACE1 (1.00) APPBACE1
SCHEMBL1646523 0.86 APP (0.89) APPBACE1MAPTCTSBCTSL
SCHEMBL1646522 0.86 APP (0.89) APPBACE1MAPTCTSBCTSL
SCHEMBL1648677 0.85 BACE1 (1.00) APPBACE1MAPTTDP1

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