Sugi Predict

Sugi Predict / Compounds / SCHEMBL5225035

SCHEMBL5225035

SCHEMBL5225035

CC(C)Oc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)CN[C@@H](C)C(=O)NC2CCCCC2)cc(N2CCCC2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 20/20 1.00
▸ CTSD P07339 19/20 1.00
▸ BACE2 Q9Y5Z0 18/20 1.00

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
SCHEMBL5221310 1.00 BACE1 (1.00) BACE1CTSDBACE2
SCHEMBL5223295 0.94 CTSD (1.00) BACE1CTSDBACE2
SCHEMBL5220873 0.94 CTSD (1.00) BACE1CTSDBACE2
SCHEMBL5219934 0.94 BACE1 (0.93) BACE1CTSDBACE2
SCHEMBL5221232 0.94 BACE1 (0.93) BACE1CTSDBACE2
SCHEMBL5223169 0.92 CTSD (1.00) BACE1CTSDBACE2
SCHEMBL5220497 0.92 CTSD (1.00) BACE1CTSDBACE2
SCHEMBL5219322 0.92 BACE1 (0.88) BACE1CTSDBACE2
SCHEMBL5217487 0.92 BACE1 (0.86) BACE1CTSDBACE2
SCHEMBL5217476 0.92 BACE1 (0.86) BACE1CTSDBACE2

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 claimed