SCHEMBL12840932

SCHEMBL12840932

CC(C)(C)OC(=O)NC(CO)C(=O)NCc1ccc(I)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 16/20 0.49
CTSK P43235 15/20 0.49
CTSB P07858 4/20 0.48
CTSL P07711 1/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
AKT1 P31749 1/20 0.43

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
SCHEMBL993347 1.00 CTSS (0.49) CTSSCTSKCTSBCTSLCA1
SCHEMBL993703 0.89 CA1 (0.53) CTSSCTSKCTSBCTSLCA1
SCHEMBL994140 0.89 CA1 (0.53) CTSSCTSKCTSBCTSLCA1
SCHEMBL12168586 0.89 CA1 (0.53) CTSSCTSKCTSBCTSLCA1
SCHEMBL13015865 0.89 PPARG (0.51) CTSSCTSKCTSBCTSLCA1
SCHEMBL13016479 0.88 CTSS (0.63) CTSSCTSKCTSBCTSLCA1
SCHEMBL30968897 0.87 CTSS (0.62) CTSSCTSKCTSBCTSLCA1
SCHEMBL42634 0.87 CTSS (0.62) CTSSCTSKCTSBCTSLCA1
SCHEMBL13583903 0.87 CTSS (0.62) CTSSCTSKCTSBCTSLCA1
SCHEMBL9582823 0.87 CTSS (0.62) CTSSCTSKCTSBCTSLCA1

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
EP-2262764-B1 NOVEL N-BENZYLAMIDE SUBSTITUTED DERIVATIVES OF 2-(ACYLAMIDO)ACETIC ACID AND 2-(ACYLAMIDO)PROPIONIC ACIDS: POTENT NEUROLOGICAL AGENTS UNIV NORTH CAROLINA (US) 2014-11-12 EP disclosed
WO-2011037833-A2 NOVEL N-BENZYLAMIDE SUBSTITUTED DERIVATIVES OF 2-(ACYLAMIDO)ACETIC ACID AND 2-(ACYLAMIDO)PROPIONIC ACIDS: POTENT NEUROLOGICAL AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-03-31 WO disclosed
WO-2010148300-A1 METHODS OF TREATMENT OF NEUROLOGICAL DISORDERS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2010-12-23 WO disclosed