SCHEMBL7209893

SCHEMBL7209893

NC(C#CC(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.38
PTGS1 P23219 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SLC1A3 P43003 3/20 0.32
SLC1A2 P43004 3/20 0.32
SLC1A1 P43005 3/20 0.32
TP53 P04637 1/20 0.32
GRIK1 P39086 1/20 0.31
GRIK2 Q13002 1/20 0.31
GRM1 Q13255 1/20 0.31
GRM2 Q14416 1/20 0.31
SLC7A11 Q9UPY5 1/20 0.31

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
SCHEMBL21548436 0.81 SLC7A5 (0.36) SLC7A5PTGS1ALDH1A1MAPTSLC1A3
SCHEMBL6777078 0.78
SCHEMBL27257158 0.77 SLC7A5 (0.33) SLC7A5PTGS1ALDH1A1MAPT
SCHEMBL27854671 0.77
SCHEMBL23699031 0.74
SCHEMBL27257226 0.74 SLC7A5 (0.31) SLC7A5
SCHEMBL16670899 0.72 TP53 (0.38) SLC7A5TP53
SCHEMBL5201370 0.72
SCHEMBL4171841 0.71 TSHR (0.30) ALDH1A1
SCHEMBL1444571 0.71

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
EP-0874846-B1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2003-04-02 EP claimed