SCHEMBL31414641

SCHEMBL31414641

CC(C)(C)OC(=O)C[C@H](NC(=O)CNC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NMBR P28336 1/20 0.46
▸ SIRT2 Q8IXJ6 12/20 0.44
▸ CTSS P25774 3/20 0.42
▸ CTSB P07858 2/20 0.42
▸ CTSK P43235 2/20 0.42
▸ CTSL P07711 1/20 0.42
▸ ACE P12821 1/20 0.41

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
SCHEMBL29427170 0.89 SIRT2 (0.43) NMBRSIRT2
SCHEMBL29427173 0.89 MDM4 (0.46) NMBRSIRT2
SCHEMBL30665993 0.88 NMBR (0.44) NMBRSIRT2CTSSCTSBCTSK
SCHEMBL29427176 0.87 NMBR (0.51) NMBRSIRT2CTSSCTSBCTSK
SCHEMBL29427178 0.87 NMBR (0.51) NMBRSIRT2CTSSCTSBCTSK
SCHEMBL30782930 0.87 ACE (0.40) SIRT2CTSSCTSBCTSKCTSL
SCHEMBL9959535 0.85 SIRT2 (0.53) NMBRSIRT2ACE
SCHEMBL29401183 0.85 SIRT2 (0.53) NMBRSIRT2ACE
SCHEMBL5349888 0.85 SIRT2 (0.53) NMBRSIRT2ACE
SCHEMBL5353860 0.83 SIRT2 (0.50) NMBRSIRT2CTSSCTSBCTSK

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-119409797-A Tide robust peptide synthesis method 中肽生化有限公司 2025-02-11 — — CN disclosed
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