SCHEMBL5873366

SCHEMBL5873366

CCN(S)C(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.60
CTSK P43235 6/20 0.60
CTSB P07858 2/20 0.60
CTSL P07711 2/20 0.60
ACE P12821 1/20 0.58
ATM Q13315 1/20 0.53
AKT1 P31749 1/20 0.53
KLK5 Q9Y337 1/20 0.51
PPARA Q07869 2/20 0.50
PPARG P37231 1/20 0.50
APP P05067 1/20 0.49
REN P00797 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
SCHEMBL1764798 0.86 CTSS (0.64) CTSSCTSKCTSBCTSLACE
SCHEMBL6162474 0.86 CTSS (0.64) CTSSCTSKCTSBCTSLACE
SCHEMBL5403879 0.85 CTSS (0.58) CTSSCTSKCTSBCTSLACE
SCHEMBL6019868 0.84 CTSS (0.66) CTSSCTSKCTSBCTSLACE
SCHEMBL6790744 0.84 CTSS (0.66) CTSSCTSKCTSBCTSLACE
SCHEMBL4654379 0.84 CTSS (0.61) CTSSCTSKCTSBCTSLACE
SCHEMBL4654386 0.84 CTSS (0.61) CTSSCTSKCTSBCTSLACE
SCHEMBL5408861 0.83 CTSS (0.56) CTSSCTSKCTSBCTSLACE
SCHEMBL6832948 0.83 CTSS (0.67) CTSSCTSKCTSBCTSLACE
SCHEMBL10174993 0.83 CTSS (0.67) 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
US-7045360-B2 Method for analysis of reaction products PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-05-16 US disclosed
US-20020090728-A1 Method for analysis of reaction products PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-07-11 US disclosed