SCHEMBL8899878

SCHEMBL8899878

COC(=O)Oc1ccc(/C=C/c2cccc(OC(=O)OC)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 4/20 0.58
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
TTR P02766 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
NFE2L2 Q16236 2/20 0.50
CYP19A1 P11511 1/20 0.50
SNCA P37840 1/20 0.48
MAOB P27338 1/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP1B1 Q16678 1/20 0.48
APP P05067 1/20 0.46
NQO2 P16083 1/20 0.46
GAA P10253 2/20 0.46

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
SCHEMBL8900736 1.00 RELA (0.58) RELAKDM4EMEN1KMT2AMAPT
SCHEMBL8902315 0.94 RELA (0.51) RELAKDM4EMAPTSMN1; SMN2NFE2L2
SCHEMBL8900320 0.94 RELA (0.51) RELAKDM4EMAPTSMN1; SMN2NFE2L2
SCHEMBL11102794 0.87 TRPA1 (0.58) RELAKDM4EMEN1KMT2AMAPT
SCHEMBL719415 0.84 KMT2A (0.73) RELAKDM4EMEN1KMT2AMAPT
SCHEMBL719416 0.84 KMT2A (0.73) RELAKDM4EMEN1KMT2AMAPT
SCHEMBL8900000 0.82 KMT2A (0.56) RELAKDM4EMEN1KMT2AMAPT
SCHEMBL8901405 0.82 KMT2A (0.56) RELAKDM4EMEN1KMT2AMAPT
SCHEMBL8900072 0.81 NFE2L2 (0.59) KDM4EMAPTSMN1; SMN2NFE2L2CYP19A1
SCHEMBL8901624 0.81 NFE2L2 (0.59) KDM4EMAPTSMN1; SMN2NFE2L2CYP19A1

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