SCHEMBL30118986

SCHEMBL30118986

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

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 18/20 0.57
▸ CTSD P07339 2/20 0.55
▸ BACE2 Q9Y5Z0 4/20 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
SCHEMBL30336809 0.94 BACE1 (0.54) BACE1CTSDBACE2
SCHEMBL29466789 0.93 BACE1 (0.55) BACE1CTSDBACE2
SCHEMBL31243889 0.89 BACE1 (0.53) BACE1BACE2
SCHEMBL29590503 0.89 BACE1 (0.58) BACE1CTSDBACE2
SCHEMBL31257028 0.89 BACE1 (0.60) BACE1CTSDBACE2
SCHEMBL30397955 0.88 BACE1 (0.63) BACE1CTSDBACE2
SCHEMBL38658486 0.88 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL31316306 0.88 BACE1 (0.62) BACE1CTSDBACE2
SCHEMBL30578962 0.87 ERAP2 (0.56) BACE1CTSDBACE2
SCHEMBL38658247 0.86 BACE1 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114246342-B High-chelating-activity small-molecule peptide chelated ferrous iron, preparation method and application of iron supplement 安徽农业大学 2022-12-13 — — CN disclosed
CN-114246342-B High-chelating-activity small-molecule peptide chelated ferrous iron, preparation method and application of iron supplement 安徽农业大学 2022-12-13 — — CN disclosed
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