SCHEMBL8260989

SCHEMBL8260989

CC(NC(=O)OCc1ccccc1)C(=O)NC(/C=C/S(C)(=O)=O)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 7/20 0.67
CASP7 P55210 3/20 0.58
PSMB5 P28074 4/20 0.57
CASP1 P29466 4/20 0.56
CASP9 P55211 2/20 0.56
CASP4 P49662 1/20 0.55
CTSL P07711 4/20 0.54
CTSB P07858 3/20 0.54
CTSS P25774 1/20 0.53

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 0.89 CASP3 (0.68) CASP3CASP7CASP1CASP9CTSL
SCHEMBL8260299 0.88 CTSL (0.71) CASP3CASP7PSMB5CTSLCTSB
SCHEMBL8259042 0.87 CTSL (0.70) CASP3CASP7PSMB5CASP1CASP9
SCHEMBL7357819 0.86 PSMB5 (0.54) CASP3PSMB5CTSLCTSBCTSS
SCHEMBL7357823 0.86 PSMB5 (0.54) CASP3PSMB5CTSLCTSBCTSS
SCHEMBL7357814 0.86 PSMB5 (0.54) CASP3PSMB5CTSLCTSBCTSS
SCHEMBL7357817 0.86 PSMB5 (0.54) CASP3PSMB5CTSLCTSBCTSS
SCHEMBL8259747 0.85 CTSL (0.68) CASP3CASP7CASP1CASP9CTSL
SCHEMBL2250051 0.84 CTSB (0.70) PSMB5CTSLCTSBCTSS
SCHEMBL8259761 0.84 CTSB (0.70) PSMB5CTSLCTSBCTSS

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