SCHEMBL30533136

SCHEMBL30533136

CC(C)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 17/20 0.58
▸ CTSD P07339 1/20 0.47
▸ NAALAD2 Q9Y3Q0 1/20 0.44
▸ BACE2 Q9Y5Z0 2/20 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
SCHEMBL30659882 0.92 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL30533108 0.91 BACE1 (0.55) BACE1CTSDBACE2
SCHEMBL30823995 0.91 BACE1 (0.53) BACE1CTSDNAALAD2BACE2
SCHEMBL30659892 0.91 BACE1 (0.53) BACE1CTSDNAALAD2BACE2
SCHEMBL31506920 0.88 LTA4H (0.46) BACE1
SCHEMBL31005067 0.87 BACE1 (0.70) BACE1CTSDNAALAD2BACE2
SCHEMBL30449279 0.87 BACE1 (0.51) BACE1
SCHEMBL30799789 0.87 BACE1 (0.51) BACE1CTSDBACE2
SCHEMBL30799391 0.86 BACE1 (0.54) BACE1CTSDBACE2
SCHEMBL31274737 0.86 MME (0.50) —

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117323408-A Composition for relieving intestinal injury after acute drinking, and preparation method and application thereof 深圳市罗湖区人民医院 2024-01-02 — — CN claimed
CN-117323408-A Composition for relieving intestinal injury after acute drinking, and preparation method and application thereof 深圳市罗湖区人民医院 2024-01-02 — — CN disclosed
CN-116444605-A Active peptide, active peptide composition and application thereof in preparation of anti-aging products 深圳海创生物科技有限公司 2023-07-18 — — CN disclosed
CN-116444605-A Active peptide, active peptide composition and application thereof in preparation of anti-aging products 深圳海创生物科技有限公司 2023-07-18 — — CN disclosed
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