SCHEMBL6667415

SCHEMBL6667415

CC(C)CC(NC(=O)C(C)NC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.49
CTSK P43235 7/20 0.47
PRSS8 Q16651 1/20 0.44
CTSL P07711 3/20 0.44
CTSS P25774 2/20 0.44
CAPN1 P07384 2/20 0.43
CTSB P07858 2/20 0.43
REN P00797 2/20 0.43
ELANE P08246 2/20 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
SCHEMBL6665971 0.93 PSMB5 (0.52) PSMB5CTSKCTSBRENELANE
SCHEMBL6466347 0.86 CTSK (0.58) CTSKCTSLCTSSCAPN1CTSB
SCHEMBL4460244 0.83 ELANE (0.51) PSMB5CTSKPRSS8CTSBREN
SCHEMBL6665963 0.82 PSMB5 (0.41) PSMB5CTSKPRSS8CTSLCTSS
SCHEMBL30480137 0.81 CTSK (0.60) PSMB5CTSKCTSLCTSSCAPN1
SCHEMBL9819550 0.79 CTSK (0.63) PSMB5CTSKCTSLCTSSCAPN1
SCHEMBL29308019 0.78 PSMB5 (0.54) PSMB5CTSKCTSLCTSSCAPN1
SCHEMBL30645063 0.77 CTSK (0.60) PSMB5CTSKCTSLCTSSCAPN1
SCHEMBL29813236 0.77 CTSK (0.53) PSMB5CTSKCTSLCTSSCTSB
SCHEMBL19944603 0.77 CTSK (0.58) CTSKCTSLCTSSCAPN1CTSB

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
WO-2004014882-A2 PROTEASOME INHIBITORS : PEPTIDE DERIVATIVES HAVING C-TERMINAL HETEROARYL GROUPS AXYS PHARMACEUTICALS (US) 2004-02-19 WO claimed
WO-2004014882-A2 PROTEASOME INHIBITORS : PEPTIDE DERIVATIVES HAVING C-TERMINAL HETEROARYL GROUPS AXYS PHARMACEUTICALS (US) 2004-02-19 WO disclosed