SCHEMBL4395744

SCHEMBL4395744

CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O.CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.68
CTSK P43235 4/20 0.68
TSHR P16473 2/20 0.54
CA2 P00918 1/20 0.49
LMNA P02545 1/20 0.48
PPARG P37231 3/20 0.47
PPARA Q07869 3/20 0.47
KLK7 P49862 1/20 0.47
EPHX2 P34913 1/20 0.47
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
PPARD Q03181 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KLK5 Q9Y337 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL478905 1.00 CTSS (0.68) CTSSCTSKTSHRCA2LMNA
SCHEMBL352156 1.00 CTSS (0.68) CTSSCTSKTSHRCA2LMNA
SCHEMBL1486229 1.00 CTSS (0.68) CTSSCTSKTSHRCA2LMNA
Methanesulfonamide SCHEMBL6898028 0.92 CTSS (0.60) CTSSCTSKTSHRCA2LMNA
Methanesulfonamide SCHEMBL6777577 0.92 CTSS (0.60) CTSSCTSKTSHRCA2LMNA
SCHEMBL2118282 0.90 CTSK (0.56) CTSSCTSKTSHRCA2PPARG
SCHEMBL2118283 0.90 CTSK (0.56) CTSSCTSKTSHRCA2PPARG
SCHEMBL7874195 0.89 CTSS (0.57) CTSSCTSKTSHRCA2LMNA
SCHEMBL7874192 0.89 CTSS (0.57) CTSSCTSKTSHRCA2LMNA
SCHEMBL16715127 0.89 CTSK (0.56) CTSSCTSKTSHRCA2PPARG

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444194-B1 N-METHYL-HOMOCYSTINES, USE THEREOF AND METHOD FOR THE PRODUCTION THEREOF CIS BIO INT (FR) 2009-12-09 EP disclosed