SCHEMBL7347429

SCHEMBL7347429

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 7/20 0.41
TSHR P16473 1/20 0.40
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
GRIK2 Q13002 4/20 0.36
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
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
CYP2D6 P10635 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL7347433 1.00 GRIK1 (0.41) GRIK1TSHRMMP1MMP2MMP3
SCHEMBL7278350 0.84 GRIK1 (0.42) GRIK1TSHRMMP1MMP2MMP3
SCHEMBL7279080 0.84 GRIK1 (0.42) GRIK1TSHRMMP1MMP2MMP3
SCHEMBL7276283 0.79 GRIK1 (0.47) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL7276287 0.79 GRIK1 (0.47) GRIK1GRIK2GRIA2GRIA4GRIK3
SCHEMBL11973899 0.76 TSHR (0.39) TSHRLMNAMAPTHCAR2CYP2D6
SCHEMBL7285916 0.73 ALDH1A1 (0.49) MMP9LMNAHCAR2ALDH1A1TDP1
SCHEMBL7285911 0.73 ALDH1A1 (0.49) MMP9LMNAHCAR2ALDH1A1TDP1
SCHEMBL7284141 0.73 GRIK1 (0.42) GRIK1GRIK2LMNAMAPTGRIA2
SCHEMBL7284138 0.73 GRIK1 (0.42) GRIK1GRIK2LMNAMAPTGRIA2

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-0579648-A1 THIOL-CARBOXYLIC ACID DERIVATIVES AS COLLAGENASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1994-01-26 EP disclosed
WO-1992017444-A1 THIOL-CARBOXYLIC ACID DERIVATIVES AS COLLAGENASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1992-10-15 WO disclosed