SCHEMBL7279080

SCHEMBL7279080

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 7/20 0.42
GRIK2 Q13002 4/20 0.37
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
KISS1R Q969F8 2/20 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
TSHR P16473 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GRIA1 P42261 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL7278350 1.00 GRIK1 (0.42) GRIK1GRIK2MMP1MMP2MMP3
SCHEMBL7347433 0.84 GRIK1 (0.41) GRIK1GRIK2MMP1MMP2MMP3
SCHEMBL7347429 0.84 GRIK1 (0.41) GRIK1GRIK2MMP1MMP2MMP3
SCHEMBL7276283 0.80 GRIK1 (0.47) GRIK1GRIK2KISS1RGRIA2GRIA4
SCHEMBL7276287 0.80 GRIK1 (0.47) GRIK1GRIK2KISS1RGRIA2GRIA4
SCHEMBL7284141 0.78 GRIK1 (0.42) GRIK1GRIK2KISS1RGRIA2GRIA4
SCHEMBL7284138 0.78 GRIK1 (0.42) GRIK1GRIK2KISS1RGRIA2GRIA4
SCHEMBL4317765 0.76 GRIK1 (0.41) GRIK1GRIK2KISS1RGRIA2GRIA4
SCHEMBL7285916 0.75 ALDH1A1 (0.49) MMP9ALDH1A1TDP1
SCHEMBL7285911 0.75 ALDH1A1 (0.49) MMP9ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0552264-A1 N-(2-ALKYL-3-MERCAPTOGLUTARYL)-AMINO-DIAZA CYCLOALKANONE DERIVATIVES AND THEIR USE AS COLLAGENASE INHIBITORS BEECHAM GROUP plc (GB) 1993-07-28 EP disclosed
US-5190937-A Collagenase Inhibitors BEECHAM GROUP P.L.C. (GB) 1993-03-02 US disclosed
WO-1992006966-A1 N-(2-ALKYL-3-MERCAPTOGLUTARYL)-AMINO-DIAZA CYCLOALKANONE DERIVATIVES AND THEIR USE AS COLLAGENASE INHIBITORS BEECHAM GROUP PLC (GB) 1992-04-30 WO disclosed
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
EP-0438223-A1 N-(2-oxoazacycloalkyl) glutarylamide derivatives and their use as collagenase inhibitors Beecham Group p.l.c. (GB) 1991-07-24 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