SCHEMBL8900834

SCHEMBL8900834

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
BCHE P06276 2/20 0.49
FOS P01100 1/20 0.49
JUN P05412 1/20 0.49
PKM P14618 1/20 0.47
RELA Q04206 1/20 0.47
ALOX5 P09917 2/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
EPOR P19235 1/20 0.45
MAOB P27338 3/20 0.45
LMNA P02545 1/20 0.44
TTR P02766 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL8899998 1.00 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2BCHEFOS
SCHEMBL9245881 1.00 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2BCHEFOS
SCHEMBL9243490 0.96 BCHE (0.50) KDM4EALDH1A1SMN1; SMN2BCHEFOS
SCHEMBL8901405 0.93 KMT2A (0.56) KDM4EALDH1A1SMN1; SMN2BCHEFOS
SCHEMBL8900000 0.93 KMT2A (0.56) KDM4EALDH1A1SMN1; SMN2BCHEFOS
SCHEMBL20958113 0.86 SRC (0.56) ALDH1A1SMN1; SMN2MEN1KMT2AMAOB
SCHEMBL8901021 0.86 NFE2L2 (0.56) KDM4EALDH1A1BCHEPKMALOX5
SCHEMBL8902293 0.86 NFE2L2 (0.56) KDM4EALDH1A1BCHEPKMALOX5
SCHEMBL716895 0.85 KMT2A (0.60) KDM4EALDH1A1SMN1; SMN2BCHERELA
SCHEMBL716894 0.85 KMT2A (0.60) KDM4EALDH1A1SMN1; SMN2BCHERELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2766186-B1 SHRINK FILM FOR LABEL AVERY DENNISON CORP (US) 2017-06-28 EP claimed
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