SCHEMBL3981383

SCHEMBL3981383

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 12/20 1.00
GRIK2 Q13002 5/20 1.00
GRM1 Q13255 1/20 1.00
GRM2 Q14416 1/20 1.00
TET2 Q6N021 3/20 0.56
TET3 O43151 1/20 0.56
TET1 Q8NFU7 1/20 0.56
GRIA4 P48058 4/20 0.47
GRIK3 Q13003 4/20 0.47
GRIK5 Q16478 4/20 0.47
SLC7A5 Q01650 1/20 0.46
GRIA2 P42262 3/20 0.45
GRIA1 P42261 2/20 0.45
PTGS1 P23219 1/20 0.44
SLC7A11 Q9UPY5 1/20 0.44
GGT1 P19440 2/20 0.43
SLC1A1 P43005 1/20 0.43

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
SCHEMBL497587 1.00 GRIK1 (1.00) GRIK1GRIK2GRM1GRM2TET2
SCHEMBL1476505 1.00 GRIK1 (1.00) GRIK1GRIK2GRM1GRM2TET2
Hydrochloric Acid SCHEMBL4186334 0.98 GRIK1 (0.95) GRIK1GRIK2GRM1GRM2TET2
Hydrochloric Acid SCHEMBL6235798 0.98 GRIK1 (0.95) GRIK1GRIK2GRM1GRM2TET2
Ammonia Solution, Strong SCHEMBL638403 0.98 GRIK1 (0.95) GRIK1GRIK2GRM1GRM2TET2
Lysine SCHEMBL7036667 0.83 GRIK1 (0.69) GRIK1GRIK2GRM1GRM2TET2
SCHEMBL1331822 0.83 GRIK1 (0.71) GRIK1GRIK2GRM1GRM2GRIA4
SCHEMBL1331820 0.83 GRIK1 (0.71) GRIK1GRIK2GRM1GRM2GRIA4
SCHEMBL5797481 0.81 GRIK1 (0.68) GRIK1GRIK2GRM1GRM2GRIA4
Itaconate SCHEMBL27997562 0.81 GRIK1 (0.67) GRIK1GRIK2GRM1GRM2TET2

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
EP-1062209-B1 METABOLICALLY INERT ANTI-INFLAMMATORY AND ANTI-TUMOR ANTIFOLATES NAIR MADHAVAN G (US) 2009-05-13 EP disclosed
US-5912251-A ENZYME INHIBITORS CHELSEA THERAPEUTICS, INC. 1999-06-15 US disclosed