SCHEMBL30065645

SCHEMBL30065645

CC(C)(C)OC[C@H](NC(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 12/20 0.40
▸ NMBR P28336 1/20 0.40
▸ REN P00797 1/20 0.38
▸ ACE P12821 1/20 0.38
▸ KLK7 P49862 1/20 0.37
▸ PPARG P37231 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35

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
SCHEMBL29475292 0.92 NMBR (0.40) SIRT2NMBRREN
SCHEMBL31094172 0.88 NMBR (0.38) SIRT2NMBRRENKLK7
SCHEMBL31094168 0.86 REN (0.38) SIRT2NMBRRENACE
SCHEMBL30782930 0.83 ACE (0.40) SIRT2ACE
SCHEMBL30107538 0.82 SIRT2 (0.44) SIRT2NMBRREN
SCHEMBL29549611 0.82 SIRT2 (0.37) SIRT2NMBR
SCHEMBL9959535 0.81 SIRT2 (0.53) SIRT2NMBRACEPPARGPPARD
SCHEMBL5349888 0.81 SIRT2 (0.53) SIRT2NMBRACEPPARGPPARD
SCHEMBL29401183 0.81 SIRT2 (0.53) SIRT2NMBRACEPPARGPPARD
SCHEMBL30384919 0.80 SIRT2 (0.44) SIRT2NMBRACEKLK7

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-113501871-B Method for preparing darunavagon by combining solid phase with liquid phase 汉肽生物医药集团有限公司 2022-10-28 — — CN disclosed
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