SCHEMBL5223387

SCHEMBL5223387

COc1cccc(CNC[C@H](O)[C@H](Cc2cccs2)N(C(=O)O)C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.47
BACE1 P56817 10/20 0.46
CTSD P07339 10/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
GFER P55789 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL5223382 1.00 BCHE (0.47) BCHEBACE1CTSDMEN1KMT2A
SCHEMBL5226080 0.86 BCHE (0.47) BCHEBACE1CTSDMEN1KMT2A
SCHEMBL5226085 0.86 BCHE (0.47) BCHEBACE1CTSDMEN1KMT2A
SCHEMBL5314169 0.85 BCHE (0.45) BCHEBACE1CTSDMEN1KMT2A
SCHEMBL5314172 0.85 BCHE (0.45) BCHEBACE1CTSDMEN1KMT2A
SCHEMBL5218538 0.84 BCHE (0.47) BCHEBACE1CTSDMEN1KMT2A
SCHEMBL5218547 0.84 BCHE (0.47) BCHEBACE1CTSDMEN1KMT2A
SCHEMBL5219994 0.84 BACE1 (0.55) BACE1CTSD
SCHEMBL5219985 0.84 BACE1 (0.55) BACE1CTSD
SCHEMBL5219988 0.84 BACE1 (0.50) BCHEBACE1CTSD

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