SCHEMBL8259554

SCHEMBL8259554

CC(NC(=O)C1CCCN1C(=O)CNC(=O)OCc1ccccc1)C(=O)NC(/C=C/S(C)(=O)=O)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 7/20 0.51
CASP7 P55210 5/20 0.51
CASP1 P29466 4/20 0.51
CASP4 P49662 2/20 0.51
CASP9 P55211 2/20 0.51
CASP2 P42575 1/20 0.51
CASP5 P51878 1/20 0.51
CASP8 Q14790 1/20 0.51
CASP10 Q92851 1/20 0.51
PREP P48147 3/20 0.47
REN P00797 1/20 0.46
ELANE P08246 1/20 0.46
ACE P12821 1/20 0.46
CTRB1 P17538 1/20 0.46
PSMB8 P28062 1/20 0.45
PSMB5 P28074 2/20 0.43
RAMP1 O60894 1/20 0.42
CALCRL Q16602 1/20 0.42

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
SCHEMBL8261010 0.93 CASP3 (0.55) CASP3CASP7CASP1CASP4CASP9
SCHEMBL8257795 0.89 PREP (0.51) CASP1PREPRENELANEACE
SCHEMBL2249079 0.89 PREP (0.51) CASP1PREPRENELANEACE
SCHEMBL2252313 0.88 REN (0.49) CASP3CASP7CASP1CASP4CASP9
SCHEMBL2252316 0.88 REN (0.49) CASP3CASP7CASP1CASP4CASP9
SCHEMBL27809406 0.86 ACE (0.55) PREPRENELANEACECTRB1
Carbon Dioxide SCHEMBL2250507 0.84 PREP (0.53) PREPRENELANEACECTRB1
SCHEMBL2248710 0.84 ACE (0.53) PREPRENELANEACECTRB1
SCHEMBL2248715 0.84 ACE (0.53) PREPRENELANEACECTRB1
SCHEMBL2248712 0.83 PREP (0.51) PREPRENELANEACECTRB1

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