SCHEMBL8614263

SCHEMBL8614263

CC(C)C[C@@H](C=CS(=O)(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NNC(=O)OC(C)(C)C)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 5/20 0.46
CTSK P43235 3/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
CTSS P25774 2/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CAPN1 P07384 1/20 0.35
CASP3 P42574 1/20 0.35
REN P00797 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL8614260 1.00 PSMB5 (0.46) PSMB5CTSKFNTAFNTBCTSS
SCHEMBL6675161 0.93 PSMB5 (0.53) PSMB5CTSKFNTAFNTBCTSS
SCHEMBL6673185 0.93 PSMB5 (0.53) PSMB5CTSKFNTAFNTBCTSS
SCHEMBL6673182 0.93 PSMB5 (0.53) PSMB5CTSKFNTAFNTBCTSS
SCHEMBL6678268 0.89 PSMB5 (0.43) PSMB5CTSKFNTAFNTBCTSS
SCHEMBL7113794 0.86 PSMB5 (0.52) PSMB5CTSKCTSSCTSLCTSB
SCHEMBL6672753 0.86 PSMB5 (0.52) PSMB5CTSKCTSSCTSLCTSB
SCHEMBL6672754 0.86 PSMB5 (0.52) PSMB5CTSKCTSSCTSLCTSB
SCHEMBL6678275 0.85 PSMB5 (0.38) PSMB5CTSKFNTAFNTBCTSS
SCHEMBL16020765 0.81 CTSK (0.46) PSMB5CTSKCTSSCTSLCTSB

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
EP-0839155-A1 CYSTEINE PROTEASE INHIBITORS FOR USE IN TREATMENT OF IgE MEDIATED ALLERGIC DISEASES PEPTIDE THERAPEUTICS LIMITED (GB) 1998-05-06 EP disclosed
WO-1997004004-A1 CYSTEINE PROTEASE INHIBITORS FOR USE IN TREATMENT OF IgE MEDIATED ALLERGIC DISEASES PEPTIDE THERAPEUTICS LIMITED (GB) 1997-02-06 WO disclosed