SCHEMBL3469003

SCHEMBL3469003

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

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 8/20 0.69
CTSK P43235 7/20 0.69
CTSB P07858 2/20 0.56
CTSL P07711 1/20 0.56
ACE P12821 1/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
REN P00797 3/20 0.50
BCL2 P10415 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
AKT1 P31749 1/20 0.49
PPARA Q07869 1/20 0.49

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
SCHEMBL3469005 1.00 CTSS (0.69) CTSSCTSKCTSBCTSLACE
SCHEMBL4024913 1.00 CTSS (0.69) CTSSCTSKCTSBCTSLACE
SCHEMBL4024908 1.00 CTSS (0.69) CTSSCTSKCTSBCTSLACE
SCHEMBL11369521 0.94 CTSS (0.63) CTSSCTSKCTSBCTSLACE
SCHEMBL15462710 0.93 CTSS (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL20052391 0.93 CTSS (0.62) CTSSCTSKCTSBCTSLACE
SCHEMBL25283580 0.90 CTSS (0.68) CTSSCTSKCTSBCTSLACE
SCHEMBL9980614 0.90 CTSS (0.68) CTSSCTSKCTSBCTSLACE
SCHEMBL2796915 0.90 CTSS (0.68) CTSSCTSKCTSBCTSLACE
SCHEMBL28630396 0.90 CTSS (0.72) CTSSCTSKCTSBCTSLACE

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
WO-2010077155-A1 A METHOD OF PRODUCING AN N-BLOCKED PEPTIDE ACTION FOR DEVELOPMENT OF RESEARCH SP. Z.O.O. (PL) 2010-07-08 WO disclosed
WO-2009093918-A1 A METHOD OF PRODUCING AN N-BLOCKED BIPHALIN INTERMEDIATE INSTYTUT MEDYCYNY DOSWIADCZALNEJ I KLINICZNEJ IM. (PL) 2009-07-30 WO disclosed