SCHEMBL7276283

SCHEMBL7276283

CC(C)C/C(=C\CC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 8/20 0.47
GRIK2 Q13002 4/20 0.41
GRIA2 P42262 2/20 0.37
GRIA4 P48058 2/20 0.37
GRIK3 Q13003 2/20 0.37
GRIK5 Q16478 2/20 0.37
GRIA1 P42261 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
CA2 P00918 1/20 0.34
KISS1R Q969F8 2/20 0.34
CACNA2D1 P54289 2/20 0.32
CACNB3 P54284 1/20 0.32
CACNA1C Q13936 1/20 0.32
PGR P06401 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
CACNA2D2 Q9NY47 1/20 0.32

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
SCHEMBL7276287 1.00 GRIK1 (0.47) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL7279080 0.80 GRIK1 (0.42) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL7284138 0.80 GRIK1 (0.42) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL7278350 0.80 GRIK1 (0.42) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL7284141 0.80 GRIK1 (0.42) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL8515594 0.80 GRIK1 (0.62) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL11662516 0.80 GRIK1 (0.62) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL4556870 0.80 GRIK1 (0.69) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL4556871 0.80 GRIK1 (0.69) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL7168755 0.80 GRIK1 (0.48) GRIK1GRIK2GRIA2GRIA4GRIK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5109000-A THIOL CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS COLLAGENASE INHIBITOR BEECHAM GROUP P.L.C. (GB) 1992-04-28 US disclosed
EP-0273689-B1 DERIVATIVES OF N-(2-ALKYL-3-MERCAPTO-GLUTARYL) ALPHA-AMINO ACIDS AND THEIR USE AS COLLAGENASE INHIBITORS BEECHAM GROUP PLC (GB) 1991-11-27 EP disclosed
US-4937243-A TREATING CONNECTIVE TISSUE DISEASES BEECHAM GROUP P.L.C. (GB) 1990-06-26 US disclosed
EP-0273689-A2 Derivatives of N-(2-alkyl-3-mercapto-glutaryl) alpha-amino acids and their use as collagenase inhibitors BEECHAM GROUP PLC (GB) 1988-07-06 EP disclosed