SCHEMBL30817668

SCHEMBL30817668

CC(C)(C)OC(=O)CC[C@H](NC(=O)C(C)(C)NC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)OCC(Cl)(Cl)Cl)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 13/20 0.40
▸ NMBR P28336 1/20 0.39
▸ KLK7 P49862 1/20 0.32

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
SCHEMBL30384919 0.82 SIRT2 (0.44) SIRT2NMBRKLK7
SCHEMBL30561556 0.80 SIRT2 (0.50) SIRT2NMBRKLK7
SCHEMBL30250367 0.79 NMBR (0.42) SIRT2NMBR
SCHEMBL30817673 0.77 — —
SCHEMBL30384691 0.75 NMBR (0.40) SIRT2NMBR
SCHEMBL29484179 0.75 SIRT2 (0.48) SIRT2NMBRKLK7
SCHEMBL18367552 0.74 SIRT2 (0.49) SIRT2NMBRKLK7
SCHEMBL30120772 0.74 SIRT2 (0.49) SIRT2NMBRKLK7
SCHEMBL29040245 0.74 SIRT2 (0.49) SIRT2NMBRKLK7
SCHEMBL12981590 0.73 MEN1 (0.33) KLK7

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-117586375-B Method for preparing semaglutin 苏州金顶生物有限公司 2024-07-30 — — CN disclosed
CN-117586375-A Method for preparing semaglutin 苏州金顶生物有限公司 2024-02-23 — — CN disclosed
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