SCHEMBL11216127

SCHEMBL11216127

NC[S+]([O-])CC(N)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
▸ GSR P00390 2/20 0.40
▸ GLUL P15104 1/20 0.38
▸ SLC1A1 P43005 3/20 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
▸ SLC1A3 P43003 2/20 0.38
▸ SLC1A2 P43004 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

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
SCHEMBL11216130 1.00 PTGS1 (0.41) PTGS1SLC7A11GSRGLULSLC1A1
SCHEMBL2405601 0.88 PTGS1 (0.46) PTGS1SLC7A11GSRSLC1A1GRIK1
SCHEMBL11883461 0.83 GSR (0.42) PTGS1SLC7A11GSRGLULSLC1A1
SCHEMBL155324 0.80 GRM8 (0.41) PTGS1SLC7A11GSRSLC1A1GRIK1
SCHEMBL11265342 0.80 SLC1A2 (0.42) PTGS1SLC7A11GSRSLC1A1GRIK1
SCHEMBL13132158 0.80 GRM8 (0.41) PTGS1SLC7A11GSRSLC1A1GRIK1
SCHEMBL1647018 0.80 SLC1A2 (0.42) PTGS1SLC7A11GSRSLC1A1GRIK1
SCHEMBL12086544 0.80 SLC1A2 (0.42) PTGS1SLC7A11GSRSLC1A1GRIK1
SCHEMBL2729297 0.78 GSR (0.47) GSRSLC1A1GRIK1GRIK2GRM1
SCHEMBL13684358 0.78 PTGS1 (0.38) PTGS1SLC7A11GSRGLULSLC1A1

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
JP-57040409-A — — None — — JP disclosed
JP-S5740409-A REMEDY FOR DISEASE CAUSED BY EXTRAORDINARY PROPAGATION OF COLLAGEN MITSUI TOATSU CHEM INC 1982-03-06 — — JP disclosed
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