SCHEMBL5873385

SCHEMBL5873385

CCN(S)C(=O)C(NC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.60
CTSS P25774 3/20 0.60
OPRK1 P41145 1/20 0.45
MAPT P10636 1/20 0.45
ATM Q13315 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
S1PR3 Q99500 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRB2 P47870 1/20 0.42
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
SYK P43405 1/20 0.42

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
SCHEMBL8351861 0.85 CTSK (0.60) CTSKCTSSOPRK1MAPTATM
SCHEMBL16847362 0.81 CTSK (0.56) CTSKCTSSOPRK1MAPTATM
SCHEMBL90836 0.81 CTSK (0.56) CTSKCTSSOPRK1MAPTATM
SCHEMBL16171655 0.81 CTSK (0.66) CTSKCTSSMAPTATMCTSL
SCHEMBL264362 0.81 CTSK (0.66) CTSKCTSSMAPTATMS1PR3
SCHEMBL525862 0.81 CTSK (0.66) CTSKCTSSMAPTATMS1PR3
SCHEMBL16174111 0.81 CTSK (0.66) CTSKCTSSMAPTATMCTSL
SCHEMBL116386 0.81 CTSK (0.66) CTSKCTSSMAPTATMS1PR3
SCHEMBL27833801 0.81 CTSK (0.62) CTSKCTSSMAPTATMS1PR3
SCHEMBL10240502 0.81 CTSK (0.62) CTSKCTSSMAPTATMS1PR3

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