SCHEMBL29549611

SCHEMBL29549611

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

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 13/20 0.37
▸ NMBR P28336 1/20 0.37
▸ GLO1 Q04760 2/20 0.33
▸ PSMB8 P28062 1/20 0.33
▸ PSMB5 P28074 1/20 0.33

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 0.90 NMBR (0.40) SIRT2NMBR
SCHEMBL30641716 0.85 PTPN1 (0.40) SIRT2NMBR
SCHEMBL30065645 0.82 SIRT2 (0.40) SIRT2NMBR
SCHEMBL31094878 0.81 SIRT2 (0.41) SIRT2NMBR
SCHEMBL31094172 0.81 NMBR (0.38) SIRT2NMBR
SCHEMBL31094168 0.78 REN (0.38) SIRT2NMBRPSMB8PSMB5
SCHEMBL30129799 0.77 SIRT2 (0.46) SIRT2NMBR
SCHEMBL30665993 0.74 NMBR (0.44) SIRT2NMBR
SCHEMBL30277394 0.73 NMBR (0.44) SIRT2NMBR
SCHEMBL29427176 0.73 NMBR (0.51) 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
EP-3986919-A1 PROCESS FOR THE MANUFACTURE OF GLUCAGON Fresenius Kabi iPSUM S.r.l. (IT) 2022-04-27 — — EP disclosed
Send feedback