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Sugi Predict / Compounds / SCHEMBL31753885

SCHEMBL31753885

SCHEMBL31753885

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

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 14/20 0.57
▸ CTSD P07339 1/20 0.56
▸ BACE2 Q9Y5Z0 4/20 0.55
▸ VIPR1 P32241 1/20 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
SCHEMBL30512585 0.92 BACE1 (0.60) BACE1CTSDBACE2
SCHEMBL31257028 0.90 BACE1 (0.60) BACE1CTSDBACE2
SCHEMBL31575679 0.88 BACE1 (0.67) BACE1CTSDBACE2
SCHEMBL29837354 0.88 BACE1 (0.61) BACE1CTSDBACE2
SCHEMBL29794844 0.87 BACE1 (0.57) BACE1CTSDBACE2
SCHEMBL30502352 0.87 BACE1 (0.66) BACE1CTSDBACE2
SCHEMBL29733692 0.86 NPY4R (0.56) BACE1CTSDBACE2
SCHEMBL29443821 0.86 BACE1 (0.65) BACE1CTSDBACE2
SCHEMBL30273399 0.85 BACE1 (0.52) BACE1CTSDBACE2
SCHEMBL30616041 0.85 OPRK1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121227467-A Functional alcoholic beverage formula based on active polypeptide and compound traditional Chinese medicine and brewing method 西安联美生物科技有限公司 2025-12-30 — — CN disclosed
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