SCHEMBL8259054

SCHEMBL8259054

O=C(NCC(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)B(O)O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.54
PREP P48147 2/20 0.52
CTRB1 P17538 1/20 0.50
PSMB9 P28065 1/20 0.49
PSMB5 P28074 4/20 0.47
F2 P00734 2/20 0.47
CMA1 P23946 1/20 0.47
REN P00797 1/20 0.45
ACE2 Q9BYF1 2/20 0.45
KMT2A Q03164 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45

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
SCHEMBL2249474 1.00 ACE (0.54) ACEPREPCTRB1PSMB9PSMB5
SCHEMBL12658508 0.93 PSMB5 (0.59) ACEPREPPSMB9PSMB5REN
SCHEMBL15386496 0.93 PSMB5 (0.59) ACEPREPPSMB9PSMB5REN
SCHEMBL2248712 0.91 PREP (0.51) ACEPREPCTRB1PSMB9F2
SCHEMBL8260995 0.91 PREP (0.51) ACEPREPCTRB1PSMB9F2
SCHEMBL27809460 0.90 ACE (0.57) ACEPREPCTRB1PSMB9CMA1
Carbon Dioxide SCHEMBL2247895 0.87 PREP (0.55) ACEPREPCTRB1PSMB9CMA1
SCHEMBL13706602 0.87 ACE (0.55) ACEPREPCTRB1PSMB9CMA1
SCHEMBL2249479 0.87 ACE (0.55) ACEPREPCTRB1PSMB9CMA1
SCHEMBL2249471 0.87 ACE (0.55) ACEPREPCTRB1PSMB9CMA1

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