SCHEMBL30717710

SCHEMBL30717710

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

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 18/20 0.56
▸ CTSD P07339 1/20 0.56
▸ BACE2 Q9Y5Z0 3/20 0.52

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
SCHEMBL30974019 0.92 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL6377728 0.92 BACE1 (0.61) BACE1CTSDBACE2
SCHEMBL6377734 0.92 BACE1 (0.61) BACE1CTSDBACE2
SCHEMBL30717683 0.91 BACE1 (0.61) BACE1CTSDBACE2
SCHEMBL29860042 0.89 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL30051183 0.88 OPRD1 (0.52) BACE1
SCHEMBL29386466 0.88 MME (0.53) BACE1
SCHEMBL31547782 0.87 BACE1 (0.59) BACE1CTSDBACE2
SCHEMBL30974055 0.87 BACE1 (0.62) BACE1CTSDBACE2
SCHEMBL31215110 0.87 OPRM1 (0.56) BACE1

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
CN-117143185-A Anglerfish skin peptide for resisting lipid nephrotoxicity, and preparation method and application thereof 浙江海洋大学 2023-12-01 — — CN claimed
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