SCHEMBL4449610

SCHEMBL4449610

NCCS(=O)(=O)OC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
SLC6A6 P31641 1/20 0.42
CYP2C19 P33261 1/20 0.42
BLM P54132 1/20 0.42
APP P05067 1/20 0.33
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
GLRA1 P23415 1/20 0.30
SLC6A9 P48067 1/20 0.30
OR51E2 Q9H255 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
SCHEMBL27814624 0.82 LMNA (0.43) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL21295188 0.80 LMNA (0.42) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL15774109 0.78 LMNA (0.40) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL9721444 0.78 LMNA (0.40) LMNASLC6A6CYP2C19BLMAPP
Magnesium SCHEMBL29376297 0.76 LMNA (0.39) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL4183149 0.76 LMNA (0.39) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL27878194 0.76 LMNA (0.39) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL28282877 0.76 LMNA (0.39) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL9222157 0.76 LMNA (0.34) LMNASLC6A6CYP2C19BLM
SCHEMBL1154473 0.75 LMNA (0.37) LMNASLC6A6CYP2C19BLMAPP

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
US-20090005320-A1 COMPOSITIONS COMPRISING AMINO ACID BICARBONATE AND METHODS OF USE THEREOF GASPARI NUTRITION, INC. 2009-01-01 US disclosed