SCHEMBL8900889

SCHEMBL8900889

COC(=O)Oc1ccc(/C=C/c2ccccc2OC(=O)OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 6/20 0.49
TRPA1 O75762 1/20 0.49
SNCA P37840 6/20 0.47
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP1A1 P04798 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP1B1 Q16678 3/20 0.46
RELA Q04206 2/20 0.44
CYP19A1 P11511 1/20 0.44
JAK2 O60674 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RAD51 Q06609 1/20 0.43
TFEB P19484 1/20 0.43

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
SCHEMBL9242510 0.89 NFE2L2 (0.62) NFE2L2TRPA1SNCAKDM4EHPGD
SCHEMBL8901347 0.87 KDM4E (0.58) NFE2L2TRPA1KDM4EHPGDHSD17B10
SCHEMBL8901624 0.85 NFE2L2 (0.59) NFE2L2TRPA1KDM4EHPGDHSD17B10
SCHEMBL8900072 0.85 NFE2L2 (0.59) NFE2L2TRPA1KDM4EHPGDHSD17B10
SCHEMBL11102794 0.84 TRPA1 (0.58) TRPA1SNCAKDM4ECYP1B1RELA
SCHEMBL8900234 0.80 TRPA1 (0.49) NFE2L2TRPA1SNCAKDM4ECYP1A1
SCHEMBL16182943 0.78 ELANE (0.52) NFE2L2TRPA1SNCAKDM4ECYP1A1
SCHEMBL16182888 0.78 KMT2A (0.44) NFE2L2TRPA1SNCAKDM4ECYP1A1
SCHEMBL1665178 0.77 HPGD (0.58) NFE2L2KDM4EHPGDHSD17B10CYP1A2
SCHEMBL26667032 0.77 GAA (0.60) NFE2L2TRPA1KDM4EHPGDHSD17B10

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-0663391-B1 Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls HOFFMANN LA ROCHE (CH) 1997-04-09 EP disclosed
EP-0663391-A1 Sulphuric acid esters of sugar alcohols for the treatment of arteriosclerotic changes in the vascular walls F. HOFFMANN-LA ROCHE AG (CH) 1995-07-19 EP disclosed