SCHEMBL5454990

SCHEMBL5454990

CCC(N)(CO)CCS(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A6 P31641 1/20 0.37
CYP2C19 P33261 1/20 0.37
BLM P54132 1/20 0.37
APP P05067 1/20 0.34
S1PR1 P21453 4/20 0.33
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32
S1PR3 Q99500 3/20 0.30
TNNC1 P63316 5/20 0.30
SGPL1 O95470 1/20 0.30
S1PR4 O95977 1/20 0.30
GPR183 P32249 1/20 0.30
CERS2 Q96G23 1/20 0.30
S1PR5 Q9H228 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
Tromethamine SCHEMBL28419666 0.80 LMNA (0.46) LMNAMEN1KMT2ASLC6A6CYP2C19
Tromethamine SCHEMBL6064575 0.79 LMNA (0.56) LMNAMEN1KMT2ASLC6A6CYP2C19
SCHEMBL20873468 0.77 LMNA (0.40) LMNAMEN1KMT2ASLC6A6CYP2C19
SCHEMBL6771786 0.76 LMNA (0.39) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL1326231 0.76 S1PR1 (0.39) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL26305886 0.76 PTGS1 (0.33) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL6766541 0.74 PTGS1 (0.37) LMNASLC6A6CYP2C19BLMAPP
SCHEMBL1131443 0.74
SCHEMBL1117318 0.74
SCHEMBL23001184 0.74 S1PR1 (0.45) S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179357-B2 Serial sample injection in capillary electrophoresis BECKMAN COULTER, INC. (US) 2007-02-20 US disclosed
US-20040079640-A1 Serial sample injection in capillary electrophoresis BECKMAN COULTER, INC. 2004-04-29 US disclosed