SCHEMBL6683867

SCHEMBL6683867

CCCC(NC(=O)C(C)NC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)C(NC(=O)OCc1ccccc1)C(C)CC)C(=O)c1nnc(-c2ccccc2)o1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.51
CTSB P07858 9/20 0.51
CTSS P25774 7/20 0.51
CTSL P07711 7/20 0.51
PSMB5 P28074 3/20 0.48
REN P00797 1/20 0.42
CASP1 P29466 1/20 0.42
CASP3 P42574 1/20 0.42
CASP4 P49662 1/20 0.42
CASP5 P51878 1/20 0.42
CASP9 P55211 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42
CASP10 Q92851 1/20 0.42
TACR1 P25103 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 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
SCHEMBL8343457 1.00 CTSK (0.51) CTSKCTSBCTSSCTSLPSMB5
SCHEMBL6662946 0.82 PSMB5 (0.55) CTSKCTSBCTSSCTSLPSMB5
SCHEMBL6665971 0.81 PSMB5 (0.52) CTSKCTSBPSMB5RENCASP1
SCHEMBL6666188 0.79 CTSB (0.57) CTSKCTSBCTSSCTSLPSMB5
SCHEMBL25465166 0.79 PSMB5 (0.65) CTSKCTSBCTSSCTSLPSMB5
SCHEMBL30500174 0.79 PSMB5 (0.65) CTSKCTSBCTSSCTSLPSMB5
SCHEMBL16024932 0.79 PSMB5 (0.65) CTSKCTSBCTSSCTSLPSMB5
SCHEMBL12826819 0.79 PSMB5 (0.65) CTSKCTSBCTSSCTSLPSMB5
SCHEMBL6664026 0.77 MAPT (0.48) CTSBCTSSCTSLPSMB5CASP1
SCHEMBL15462629 0.77 CASP1 (0.56) CTSKCTSBCTSSCTSLPSMB5

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 claimed