SCHEMBL8259747

SCHEMBL8259747

CS(=O)(=O)/C=C/C(Cc1ccccc1)NC(=O)C(CCc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.68
CASP3 P42574 4/20 0.62
CASP1 P29466 2/20 0.62
CASP9 P55211 2/20 0.62
CASP7 P55210 2/20 0.62
CTSB P07858 3/20 0.59
CTSS P25774 1/20 0.57

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
SCHEMBL8261586 0.92 CASP3 (0.68) CTSLCASP3CASP1CASP9CASP7
SCHEMBL8260299 0.88 CTSL (0.71) CTSLCASP3CASP7CTSB
SCHEMBL8259042 0.87 CTSL (0.70) CTSLCASP3CASP1CASP9CASP7
SCHEMBL8260989 0.85 CASP3 (0.67) CTSLCASP3CASP1CASP9CASP7
SCHEMBL2245863 0.84 CTSL (0.68) CTSLCTSBCTSS
SCHEMBL8261584 0.84 CTSL (0.68) CTSLCTSBCTSS
SCHEMBL8259050 0.82 CASP3 (0.60) CTSLCASP3CASP1CASP9CASP7
SCHEMBL30490629 0.82 PSMB5 (0.73) CTSLCASP3CASP1CASP9CASP7
SCHEMBL9891884 0.81 CTSL (1.00) CTSLCTSBCTSS
SCHEMBL8260998 0.79 CTSL (0.69) CTSLCASP3CASP1CASP9CASP7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589066-B2 Such as N-carbobenzyloxy-phenylalanyl-phenylalanylal; for treating cancer, inflammation, and/or autoimmune diseases; suppresses endogenous antigenic peptide generation THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-09-15 US disclosed
US-7589066-B2 Such as N-carbobenzyloxy-phenylalanyl-phenylalanylal; for treating cancer, inflammation, and/or autoimmune diseases; suppresses endogenous antigenic peptide generation THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-09-15 US disclosed
WO-2006099261-A2 POTENT AND SPECIFIC IMMUNOPROTEASOME INHIBITORS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2006-09-21 WO disclosed