SCHEMBL30336809

SCHEMBL30336809

CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 17/20 0.54
▸ BACE2 Q9Y5Z0 2/20 0.54
▸ CTSD P07339 2/20 0.54

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
SCHEMBL30118986 0.94 BACE1 (0.57) BACE1BACE2CTSD
SCHEMBL29590503 0.93 BACE1 (0.58) BACE1BACE2CTSD
SCHEMBL30336942 0.92 BACE1 (0.59) BACE1BACE2CTSD
SCHEMBL31316306 0.90 BACE1 (0.62) BACE1BACE2CTSD
SCHEMBL30578962 0.88 ERAP2 (0.56) BACE1BACE2CTSD
SCHEMBL30974007 0.88 ERAP2 (0.52) BACE1BACE2CTSD
SCHEMBL29591866 0.88 SMN1; SMN2 (0.53) BACE1BACE2CTSD
SCHEMBL30578951 0.88 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL29692934 0.87 ERAP2 (0.57) —
SCHEMBL30974149 0.87 BACE1 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023080791-A1 PEPTIDES FOR THE INHIBITION OF PARASITE INFECTION KAPP DET GODE HÅP AS (NO) 2023-05-11 — — WO claimed
WO-2023080791-A1 PEPTIDES FOR THE INHIBITION OF PARASITE INFECTION KAPP DET GODE HÅP AS (NO) 2023-05-11 — — WO disclosed
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