SCHEMBL7424012

SCHEMBL7424012

C#CC[C@@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
TP53 P04637 1/20 0.39
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
RNPEP Q9H4A4 1/20 0.30
CYP1A2 P05177 1/20 0.30
SLC7A5 Q01650 1/20 0.30
GABRR1 P24046 1/20 0.30

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
SCHEMBL7554466 0.86 SLC1A3 (0.45) GRIK1GRIK2TP53SLC1A3SLC1A2
SCHEMBL17212018 0.85 GRIK1 (0.46) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL21243680 0.82 GRIK1 (0.47) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL21243670 0.82 GRIK1 (0.47) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL7841776 0.82 GRIK1 (0.34) GRIK1GRIK2
SCHEMBL6805457 0.81 TSHR (0.41) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL7989232 0.77 CHRM1 (0.40) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL8847323 0.77 GRIK1 (0.35) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL7718052 0.77 CHRM1 (0.40) GRIK1GRIK2SLC1A3SLC1A2SLC1A1
SCHEMBL9860882 0.76 GRIK1 (0.37) GRIK1GRIK2SLC1A3SLC1A2SLC1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121118-A4 FORMAMIDES AS THERAPEUTIC AGENTS GLAXO GROUP LTD (GB) 2002-09-11 EP disclosed
US-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed
EP-1121118-A1 FORMAMIDES AS THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2001-08-08 EP disclosed
US-6172064-B1 METALLOPROTEASE INHIBITOR; ANTIARTHRITIC AGENTS, ANTIDIABETIC AGENTS; ANTITUMOR AGENTS GLAXO WELLCOME INC. 2001-01-09 US disclosed
WO-2000012083-A1 FORMAMIDES AS THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2000-03-09 WO disclosed
WO-2000012082-A1 FORMAMIDE COMPOUNDS AS THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2000-03-09 WO disclosed