SCHEMBL31482265

SCHEMBL31482265

C=CCSC[C@H](N)C(=O)O.[Na]

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.52
ARG2 P78540 1/20 0.52
GRIK1 P39086 3/20 0.44
GRIK2 Q13002 3/20 0.44
NOS2 P35228 3/20 0.42
NOS1 P29475 2/20 0.42
NOS3 P29474 1/20 0.42
ALOX5 P09917 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS1 P23219 1/20 0.37
SLC7A11 Q9UPY5 1/20 0.37
GGT1 P19440 4/20 0.36
GRM1 Q13255 1/20 0.36
GRM2 Q14416 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
BHMT Q93088 2/20 0.35

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
SCHEMBL119988 0.98 ARG1 (0.53) ARG1ARG2GRIK1GRIK2NOS2
SCHEMBL119989 0.98 ARG1 (0.53) ARG1ARG2GRIK1GRIK2NOS2
SCHEMBL16230008 0.98 ARG1 (0.53) ARG1ARG2GRIK1GRIK2NOS2
SCHEMBL27630394 0.98 ARG1 (0.53) ARG1ARG2GRIK1GRIK2NOS2
Hydrochloric Acid SCHEMBL11572696 0.96 ARG2 (0.52) ARG1ARG2GRIK1GRIK2NOS2
SCHEMBL28083645 0.96 ARG1 (0.52) ARG1ARG2GRIK1GRIK2NOS2
Glutamine SCHEMBL28579184 0.85 ALOX15 (0.59) ARG1ARG2GRIK1GRIK2NOS2
SCHEMBL4543471 0.82 ALDH1A1 (0.46) ARG1ARG2GRIK1GRIK2NOS2
SCHEMBL11131002 0.82 ALOX5 (0.40) ARG1ARG2GRIK1GRIK2NOS2
SCHEMBL1158206 0.82 ALDH1A1 (0.46) ARG1ARG2GRIK1GRIK2NOS2

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
WO-2025033341-A1 SOIL DISEASE INHIBITOR 国立大学法人東海国立大学機構 2025-02-13 WO disclosed