SCHEMBL31612224

SCHEMBL31612224

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

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 13/20 0.43
▸ CTSD P07339 1/20 0.38
▸ CTSC P53634 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ BACE2 Q9Y5Z0 1/20 0.36
▸ ENPEP Q07075 2/20 0.36

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
SCHEMBL30997475 0.91 F2 (0.41) BACE1F2
SCHEMBL30632041 0.88 ERAP2 (0.41) BACE1CTSCBACE2
SCHEMBL30343586 0.86 BACE1 (0.40) BACE1CTSDBACE2
SCHEMBL29808247 0.86 BACE1 (0.48) BACE1CTSDBACE2
SCHEMBL30129742 0.85 ECE1 (0.43) BACE1CTSC
SCHEMBL29833296 0.85 PTPN1 (0.46) BACE1CTSDBACE2
SCHEMBL30008175 0.85 BACE1 (0.40) BACE1CTSD
SCHEMBL29581498 0.84 MME (0.38) BACE1ENPEP
SCHEMBL30839281 0.84 PTPN1 (0.41) BACE1CTSDBACE2
SCHEMBL30782660 0.83 BACE1 (0.39) BACE1CTSDBACE2ENPEP

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-120118878-A AHL-lactonase high-thermal-stability mutant and application thereof in biological control of fruit tree fire blight 浙江工业大学 2025-06-10 — — CN claimed
CN-120118878-A AHL-lactonase high-thermal-stability mutant and application thereof in biological control of fruit tree fire blight 浙江工业大学 2025-06-10 — — CN disclosed
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