SCHEMBL4382913

SCHEMBL4382913

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NI

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.70
CTSK P43235 10/20 0.70
CTSB P07858 4/20 0.56
CTSL P07711 1/20 0.56
BCL2 P10415 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
AKT1 P31749 1/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
ACE P12821 1/20 0.48

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
SCHEMBL5188418 0.88 CTSS (0.72) CTSSCTSKCTSBCTSLBCL2
SCHEMBL7273440 0.88 CTSS (0.72) CTSSCTSKCTSBCTSLBCL2
SCHEMBL5188769 0.88 CTSS (0.72) CTSSCTSKCTSBCTSLBCL2
SCHEMBL2928795 0.87 CTSS (0.78) CTSSCTSKCTSBCTSLAKT1
SCHEMBL21676277 0.87 CTSS (0.70) CTSSCTSKCTSBCTSLBCL2
SCHEMBL31633736 0.87 CTSS (0.70) CTSSCTSKCTSBCTSLBCL2
SCHEMBL4653261 0.86 CTSS (0.54) CTSSCTSKCTSBCTSLHDAC8
SCHEMBL28630396 0.86 CTSS (0.72) CTSSCTSKCTSBCTSLITGB3
SCHEMBL1255725 0.86 CTSS (0.69) CTSSCTSKCTSBCTSLBCL2
SCHEMBL18401283 0.85 CTSS (0.67) CTSSCTSKCTSBCTSLBCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121725-A1 C-TERMINAL ATTACHMENT OF TWO CHEMICAL GROUPS TO PEPTIDES Novo Nordisk Health Care AG (CH) 2009-11-25 EP disclosed
EP-2115001-A1 COUPLING OF ANTIBODY POLYPEPTIDES AT THE C-TERMINUS Novo Nordisk A/S (DK) 2009-11-11 EP disclosed
EP-1986694-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS Novo Nordisk A/S (DK) 2008-11-05 EP disclosed
WO-2008107260-A1 COUPLING OF ANTIBODY POLYPEPTIDES AT THE C-TERMINUS NOVO NORDISK A/S (DK) 2008-09-12 WO disclosed
WO-2008098958-A1 C-TERMINAL ATTACHMENT OF TWO CHEMICAL GROUPS TO PEPTIDES NOVO NORDISK HEALTH CARE AG (DK) 2008-08-21 WO disclosed
EP-1850878-A2 C-TERMINALLY PEGYLATED GROWTH HORMONES NOVO NORDISK A/S (DK) 2007-11-07 EP disclosed
WO-2007093594-A1 COUPLING OF POLYPEPTIDES AT THE C-TERMINUS NOVO NORDISK HEALTH CARE AG (DK) 2007-08-23 WO disclosed
WO-2006084888-A2 C-TERMINALLY PEGYLATED GROWTH HORMONES NOVO NORDISK A/S (DK) 2006-08-17 WO disclosed