SCHEMBL1823399

SCHEMBL1823399

N[C@@H](CNS(=O)(=O)O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
SLC7A11 Q9UPY5 1/20 0.41
PMP22 Q01453 2/20 0.41
CASR P41180 6/20 0.40
GSR P00390 2/20 0.38
GRIK1 P39086 2/20 0.38
GRIK2 Q13002 2/20 0.38
GRM1 Q13255 2/20 0.38
GRM2 Q14416 2/20 0.38
SLC7A5 Q01650 1/20 0.38
GRM8 O00222 1/20 0.38
GRM6 O15303 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
CYP1A2 P05177 1/20 0.38
GRM5 P41594 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
SLC1A3 P43003 1/20 0.38

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
SCHEMBL28961753 1.00 PTGS1 (0.41) PTGS1SLC7A11PMP22CASRGSR
Alanine SCHEMBL30296992 0.92 SLC7A5 (0.42) PTGS1SLC7A11PMP22CASRSLC7A5
SCHEMBL1768840 0.82 PTGS1 (0.41) PTGS1SLC7A11PMP22CASRGSR
SCHEMBL1768843 0.82 PTGS1 (0.41) PTGS1SLC7A11PMP22CASRGSR
SCHEMBL8441119 0.80 PMP22 (0.48) PTGS1SLC7A11PMP22CASRGSR
SCHEMBL8441116 0.80 PMP22 (0.48) PTGS1SLC7A11PMP22CASRGSR
SCHEMBL31688971 0.80 PMP22 (0.48) PTGS1SLC7A11PMP22CASRGSR
SCHEMBL1768513 0.78 PMP22 (0.42) PTGS1SLC7A11PMP22CASRGSR
SCHEMBL28095430 0.78 PMP22 (0.42) PTGS1SLC7A11PMP22CASRGSR
SCHEMBL13585304 0.77 PMP22 (0.41) PTGS1SLC7A11PMP22CASRGSR

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
CN-115754300-A Plasma metabolism markers for predicting non-proliferative DR occurrence risk, application thereof and construction method of scoring model 深圳市人民医院 2023-03-07 CN disclosed
WO-2011053764-A2 METHOD FOR THE BIOSYNTHESIS OF TAURINE OR HYPOTAURINE IN CELLS PLANT SENSORY SYSTEMS, LLC (US) 2011-05-05 WO disclosed