SCHEMBL5164474

SCHEMBL5164474

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.39
SLC7A11 Q9UPY5 1/20 0.39
LMNA P02545 1/20 0.32
SLC6A6 P31641 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
CPB2 Q96IY4 1/20 0.30

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
SCHEMBL2015093 0.83 LMNA (0.33) LMNASLC6A6CYP2C19BLM
SCHEMBL8741229 0.80 GABRR1 (0.32) LMNASLC6A6CYP2C19BLM
SCHEMBL28257351 0.80 GSR (0.41) LMNASLC6A6CYP2C19BLMCPB2
Hydrochloric Acid SCHEMBL28567337 0.79 GSR (0.40) LMNASLC6A6CYP2C19BLMCPB2
SCHEMBL1153989 0.79 GSR (0.48) CPB2
SCHEMBL431235 0.78 PTGS1 (0.46) PTGS1SLC7A11
SCHEMBL6231528 0.78 PTGS1 (0.43) PTGS1SLC7A11
SCHEMBL11133459 0.77 CYP1A2 (0.46) LMNACYP2C19BLM
SCHEMBL3799351 0.77 LMNA (0.34) LMNASLC6A6CYP2C19BLM
SCHEMBL1154473 0.76 LMNA (0.37) LMNASLC6A6CYP2C19BLM

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
CN-1298701-A Compound amino acid composition INST OF RADIOMEDICINE CHINESE (CN) 2001-06-13 CN claimed
EP-1768499-A1 MEDICINAL PRODUCTS INCORPORATING BOUND ORGANOSULFUR GROUPS Ott, David M. (US) 2007-04-04 EP disclosed
WO-2005115173-A1 MEDICINAL PRODUCTS INCORPORATING BOUND ORGANOSULFUR GROUPS OTT DAVID M (US) 2005-12-08 WO disclosed