SCHEMBL4653261

SCHEMBL4653261

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NI

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.54
CTSK P43235 10/20 0.54
CTSB P07858 4/20 0.52
CTSL P07711 2/20 0.50
LCK P06239 1/20 0.46
ACE P12821 1/20 0.46
HDAC8 Q9BY41 1/20 0.44
AKT1 P31749 1/20 0.44

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
SCHEMBL7525536 0.87 CTSS (0.58) CTSSCTSKCTSBCTSLLCK
SCHEMBL4382913 0.86 CTSS (0.70) CTSSCTSKCTSBCTSLACE
SCHEMBL1172086 0.86 ACE (0.60) CTSSCTSKCTSBCTSLACE
SCHEMBL8364977 0.86 CTSS (0.51) CTSSCTSKCTSBCTSLLCK
SCHEMBL4786137 0.86 ACE (0.60) CTSSCTSKCTSBCTSLACE
SCHEMBL30829409 0.86 ACE (0.60) CTSSCTSKCTSBCTSLACE
SCHEMBL4118607 0.85 REN (0.52) CTSSCTSKCTSBCTSLLCK
SCHEMBL3013721 0.85 LCK (0.64) CTSSCTSKCTSBCTSLLCK
SCHEMBL31525018 0.85 ACE (0.59) CTSSCTSKCTSBACE
SCHEMBL3013717 0.85 LCK (0.64) CTSSCTSKCTSBCTSLLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1993995-A1 AMINO ACID DERIVATIVES Proximagen Ltd. (GB) 2008-11-26 EP disclosed
WO-2007104959-A1 AMINO ACID DERIVATIVES PROXIMAGEN LTD. (GB) 2007-09-20 WO disclosed