SCHEMBL7284138

SCHEMBL7284138

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

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 7/20 0.42
KISS1R Q969F8 2/20 0.38
GRIK2 Q13002 4/20 0.37
MAPT P10636 1/20 0.34
GRIA2 P42262 2/20 0.33
GRIA4 P48058 2/20 0.33
GRIK3 Q13003 2/20 0.33
GRIK5 Q16478 2/20 0.33
GRIA1 P42261 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
PTPN1 P18031 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL7284141 1.00 GRIK1 (0.42) GRIK1KISS1RGRIK2MAPTGRIA2
SCHEMBL7276283 0.80 GRIK1 (0.47) GRIK1KISS1RGRIK2GRIA2GRIA4
SCHEMBL7276287 0.80 GRIK1 (0.47) GRIK1KISS1RGRIK2GRIA2GRIA4
SCHEMBL7278350 0.78 GRIK1 (0.42) GRIK1KISS1RGRIK2GRIA2GRIA4
SCHEMBL7279080 0.78 GRIK1 (0.42) GRIK1KISS1RGRIK2GRIA2GRIA4
SCHEMBL7049062 0.74 GRIK1 (0.62) GRIK1KISS1RGRIK2GRIA2GRIA4
SCHEMBL11662516 0.74 GRIK1 (0.62) GRIK1KISS1RGRIK2GRIA2GRIA4
SCHEMBL4556871 0.74 GRIK1 (0.69) GRIK1KISS1RGRIK2GRIA2GRIA4
SCHEMBL8515594 0.74 GRIK1 (0.62) GRIK1KISS1RGRIK2GRIA2GRIA4
SCHEMBL7168755 0.74 GRIK1 (0.48) GRIK1KISS1RGRIK2GRIA2GRIA4

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