SCHEMBL30837136

SCHEMBL30837136

CC(C)C[C@@H](N)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.53
BACE2 Q9Y5Z0 4/20 0.53
CTSD P07339 2/20 0.51
ENPEP Q07075 5/20 0.44

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
SCHEMBL31666009 0.95 BACE1 (0.50) BACE1BACE2CTSD
SCHEMBL30876809 0.94 BACE1 (0.52) BACE1BACE2CTSDENPEP
SCHEMBL1674901 0.93 ALDH1A1 (0.47) BACE1BACE2CTSD
SCHEMBL10439241 0.93 ALDH1A1 (0.47) BACE1BACE2CTSD
SCHEMBL1674899 0.93 ALDH1A1 (0.47) BACE1BACE2CTSD
SCHEMBL29880484 0.92 BACE1 (0.48) BACE1BACE2CTSDENPEP
SCHEMBL30814697 0.92 BACE1 (0.48) BACE1BACE2CTSD
SCHEMBL30628180 0.92 MME (0.50) BACE1BACE2
SCHEMBL31457859 0.91 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL31361486 0.91 BACE1 (0.62) BACE1BACE2CTSD

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
WO-2024073782-A1 A METHOD OF REMOVING METAL IONS FROM SOLUTION STELLENBOSCH UNIVERSITY (ZA) 2024-04-04 WO disclosed