SCHEMBL8900320

SCHEMBL8900320

COC(=O)Oc1cccc(/C=C/c2cccc(OC(=O)OC)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.51
MAOB P27338 3/20 0.49
BCHE P06276 2/20 0.49
FOS P01100 1/20 0.49
JUN P05412 1/20 0.49
NFE2L2 Q16236 2/20 0.49
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
CYP19A1 P11511 1/20 0.47
NQO2 P16083 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
JAK2 O60674 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 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
SCHEMBL8902315 1.00 RELA (0.51) RELAMAOBBCHEFOSJUN
SCHEMBL8900736 0.94 RELA (0.58) RELAMAOBNFE2L2CYP19A1NQO2
SCHEMBL8899878 0.94 RELA (0.58) RELAMAOBNFE2L2CYP19A1NQO2
SCHEMBL8900072 0.87 NFE2L2 (0.59) MAOBBCHENFE2L2ABL1BCR
SCHEMBL8901624 0.87 NFE2L2 (0.59) MAOBBCHENFE2L2ABL1BCR
SCHEMBL414231 0.86 MAPT (0.43) MAOBBCHEFOSJUNALDH1A1
SCHEMBL19320327 0.79 RXRA (0.51)
SCHEMBL8899998 0.79 KDM4E (0.50) RELAMAOBBCHEFOSJUN
SCHEMBL9245881 0.79 KDM4E (0.50) RELAMAOBBCHEFOSJUN
SCHEMBL13135118 0.79 MTNR1B (0.57) BCHE

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