SCHEMBL6662946

SCHEMBL6662946

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 3/20 0.55
CTSB P07858 5/20 0.53
CTSL P07711 2/20 0.53
CTSS P25774 2/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
CASP3 P42574 3/20 0.51
CASP1 P29466 1/20 0.51
CASP4 P49662 1/20 0.51
CASP5 P51878 1/20 0.51
CASP9 P55211 1/20 0.51
CASP6 P55212 1/20 0.51
CASP8 Q14790 1/20 0.51
CASP10 Q92851 1/20 0.51
CTSK P43235 4/20 0.49
SYK P43405 1/20 0.49
CAPN1 P07384 1/20 0.47
REN P00797 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL6666188 0.93 CTSB (0.57) PSMB5CTSBCTSLCTSSMEN1
SCHEMBL15462629 0.90 CASP1 (0.56) PSMB5CTSBCTSLCTSSMEN1
SCHEMBL20052435 0.90 CASP1 (0.56) PSMB5CTSBCTSLCTSSMEN1
SCHEMBL20052390 0.90 CASP1 (0.56) PSMB5CTSBCTSLCTSSMEN1
SCHEMBL20052400 0.90 MME (0.50) PSMB5CTSBCTSLCTSSMEN1
SCHEMBL15462622 0.90 MME (0.50) PSMB5CTSBCTSLCTSSMEN1
SCHEMBL20356162 0.90 MME (0.50) PSMB5CTSBCTSLCTSSMEN1
SCHEMBL6661796 0.88 CTSB (0.54) PSMB5CTSBCTSLCTSSMEN1
SCHEMBL25465166 0.87 PSMB5 (0.65) PSMB5CTSBCTSLCTSSMEN1
SCHEMBL30500174 0.87 PSMB5 (0.65) PSMB5CTSBCTSLCTSSMEN1

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