SCHEMBL30786614

SCHEMBL30786614

COC(=O)C(C)(C)NC(=O)C(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 13/20 0.49
▸ NMBR P28336 1/20 0.46
▸ KLK7 P49862 1/20 0.42
▸ CTSS P25774 2/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CTSK P43235 1/20 0.42

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
SCHEMBL30786611 1.00 SIRT2 (0.49) SIRT2NMBRKLK7CTSSCTSL
SCHEMBL18367552 0.94 SIRT2 (0.49) SIRT2NMBRKLK7CTSSCTSL
SCHEMBL29040245 0.94 SIRT2 (0.49) SIRT2NMBRKLK7CTSSCTSL
SCHEMBL30120772 0.94 SIRT2 (0.49) SIRT2NMBRKLK7CTSSCTSL
SCHEMBL18367551 0.91 SIRT2 (0.48) SIRT2NMBRKLK7CTSSCTSL
SCHEMBL5353860 0.88 SIRT2 (0.50) SIRT2NMBRCTSSCTSLCTSB
SCHEMBL13810396 0.87 SIRT2 (0.61) SIRT2NMBRKLK7CTSSCTSL
SCHEMBL11913040 0.87 SIRT2 (0.61) SIRT2NMBRKLK7CTSSCTSL
SCHEMBL5349888 0.86 SIRT2 (0.53) SIRT2NMBR
SCHEMBL9959535 0.86 SIRT2 (0.53) SIRT2NMBR

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-117659159-A Synthesis method of semaglutin dipeptide side chain Boc-His (Boc) -Aib-OH 乐普药业股份有限公司 2024-03-08 — — CN disclosed
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