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SCHEMBL5218547

SCHEMBL5218547

COc1cccc(CNC[C@H](O)[C@H](Cc2ccco2)N(C(=O)O)C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.47
▸ CTSD P07339 8/20 0.45
▸ BACE1 P56817 10/20 0.45
▸ BACE2 Q9Y5Z0 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ TAS2R14 Q9NYV8 1/20 0.43

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
SCHEMBL5218538 1.00 BCHE (0.47) BCHECTSDBACE1BACE2MEN1
SCHEMBL5223382 0.84 BCHE (0.47) BCHECTSDBACE1MEN1KMT2A
SCHEMBL5223387 0.84 BCHE (0.47) BCHECTSDBACE1MEN1KMT2A
SCHEMBL5219985 0.84 BACE1 (0.55) CTSDBACE1BACE2
SCHEMBL5219988 0.84 BACE1 (0.50) BCHECTSDBACE1BACE2
SCHEMBL5219994 0.84 BACE1 (0.55) CTSDBACE1BACE2
SCHEMBL5219998 0.84 BACE1 (0.50) BCHECTSDBACE1BACE2
SCHEMBL5226085 0.82 BCHE (0.47) BCHECTSDBACE1MEN1KMT2A
SCHEMBL5226080 0.82 BCHE (0.47) BCHECTSDBACE1MEN1KMT2A
SCHEMBL5215886 0.82 BCHE (0.47) BCHECTSDBACE1MEN1KMT2A

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