SCHEMBL5873387

SCHEMBL5873387

CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NCCS

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.72
CTSK P43235 10/20 0.72
CTSB P07858 4/20 0.72
CTSL P07711 2/20 0.72
AKT1 P31749 1/20 0.69
ACE P12821 1/20 0.57
PTPN1 P18031 1/20 0.54

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
SCHEMBL16288190 1.00 CTSS (0.72) CTSSCTSKCTSBCTSLAKT1
SCHEMBL5873364 1.00 CTSS (0.72) CTSSCTSKCTSBCTSLAKT1
SCHEMBL21010315 0.92 CTSS (0.79) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2440946 0.92 CTSS (0.79) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2442760 0.90 CTSS (0.76) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2446582 0.90 CTSS (0.76) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2444606 0.89 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2447627 0.89 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL6051637 0.89 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL2405030 0.89 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1

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
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
WO-2001057526-A1 METHOD FOR ANALYSIS OF REACTION PRODUCTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2001-08-09 WO disclosed