SCHEMBL6665971

SCHEMBL6665971

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.52
CTSK P43235 9/20 0.48
CTSB P07858 7/20 0.48
REN P00797 2/20 0.44
ELANE P08246 2/20 0.41
CASP1 P29466 1/20 0.41
CASP3 P42574 1/20 0.41
CASP4 P49662 1/20 0.41
CASP5 P51878 1/20 0.41
CASP9 P55211 1/20 0.41
CASP6 P55212 1/20 0.41
CASP8 Q14790 1/20 0.41
CASP10 Q92851 1/20 0.41
CTSD P07339 1/20 0.41

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
SCHEMBL6667415 0.93 PSMB5 (0.49) PSMB5CTSKCTSBRENELANE
SCHEMBL6665963 0.89 PSMB5 (0.41) PSMB5CTSKCTSBRENELANE
SCHEMBL4460244 0.82 ELANE (0.51) PSMB5CTSKCTSBRENELANE
SCHEMBL30500174 0.82 PSMB5 (0.65) PSMB5CTSKCTSBRENCASP1
SCHEMBL12826819 0.82 PSMB5 (0.65) PSMB5CTSKCTSBRENCASP1
SCHEMBL25465166 0.82 PSMB5 (0.65) PSMB5CTSKCTSBRENCASP1
SCHEMBL16024932 0.82 PSMB5 (0.65) PSMB5CTSKCTSBRENCASP1
SCHEMBL8343457 0.81 CTSK (0.51) PSMB5CTSKCTSBRENCASP1
SCHEMBL6683867 0.81 CTSK (0.51) PSMB5CTSKCTSBRENCASP1
SCHEMBL6662946 0.81 PSMB5 (0.55) PSMB5CTSKCTSBRENCASP1

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