SCHEMBL5226047

SCHEMBL5226047

COc1cccc(CNC[C@H](O)[C@H](Cc2ccc(Cl)cc2)NC(=O)OC(C)(C)C)c1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.60
CTSD P07339 13/20 0.57
BACE1 P56817 15/20 0.56

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
SCHEMBL5226037 1.00 BCHE (0.60) BCHECTSDBACE1
SCHEMBL5220622 0.93 BCHE (0.58) BCHECTSDBACE1
SCHEMBL5220617 0.93 BCHE (0.58) BCHECTSDBACE1
SCHEMBL3511029 0.92 BCHE (0.69) BCHECTSDBACE1
SCHEMBL255923 0.92 BCHE (0.69) BCHECTSDBACE1
SCHEMBL715242 0.92 BCHE (0.69) BCHECTSDBACE1
SCHEMBL3881697 0.89 BCHE (0.56) BCHECTSDBACE1
SCHEMBL3870494 0.89 BCHE (0.56) BCHECTSDBACE1
SCHEMBL3881693 0.89 BCHE (0.56) BCHECTSDBACE1
SCHEMBL3870491 0.89 BCHE (0.56) BCHECTSDBACE1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed