SCHEMBL9754306

SCHEMBL9754306

CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(C(=O)OC)C(C)C

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PSENEN Q9NZ42 1/20 0.71
▸ CTSS P25774 2/20 0.60
▸ CTSK P43235 2/20 0.60
▸ CTSD P07339 4/20 0.54
▸ REN P00797 1/20 0.51
▸ CA2 P00918 2/20 0.47
▸ KLK5 Q9Y337 1/20 0.45

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
SCHEMBL8835847 0.94 PSENEN (0.71) PSENENCTSSCTSKCTSDREN
SCHEMBL7104010 0.88 PSENEN (0.59) PSENENCTSSCTSKCTSDCA2
SCHEMBL245495 0.88 PSENEN (0.62) PSENENCTSSCTSKCTSDCA2
SCHEMBL2548149 0.88 PSENEN (0.59) PSENENCTSSCTSKCTSDCA2
SCHEMBL1486223 0.88 PSENEN (0.62) PSENENCTSSCTSKCTSDCA2
SCHEMBL17137934 0.88 PSENEN (0.59) PSENENCTSSCTSKCTSDCA2
SCHEMBL1486221 0.88 PSENEN (0.62) PSENENCTSSCTSKCTSDCA2
SCHEMBL23080124 0.88 PSENEN (0.64) PSENENCTSSCTSKCTSDREN
SCHEMBL22068619 0.87 CTSS (0.65) PSENENCTSSCTSKCTSDCA2
SCHEMBL22068618 0.87 CTSS (0.65) PSENENCTSSCTSKCTSDCA2

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
WO-1991008221-A1 PEPTIDE INHIBITORS OF HIV PROTEASE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1991-06-13 — — WO disclosed
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