SCHEMBL8901405

SCHEMBL8901405

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 3/20 0.56
TTR P02766 2/20 0.56
MEN1 O00255 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
RELA Q04206 1/20 0.54
LCK P06239 1/20 0.50
RAD51 Q06609 1/20 0.49
NFE2L2 Q16236 1/20 0.46
CYP19A1 P11511 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SNCA P37840 1/20 0.45
FOS P01100 1/20 0.44
JUN P05412 1/20 0.44
BCHE P06276 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
SCHEMBL8900000 1.00 KMT2A (0.56) KMT2AKDM4ETTRMEN1SMN1; SMN2
SCHEMBL9243490 0.93 BCHE (0.50) KMT2AKDM4ETTRMEN1SMN1; SMN2
SCHEMBL9245881 0.93 KDM4E (0.50) KMT2AKDM4ETTRMEN1SMN1; SMN2
SCHEMBL8900834 0.93 KDM4E (0.50) KMT2AKDM4ETTRMEN1SMN1; SMN2
SCHEMBL8899998 0.93 KDM4E (0.50) KMT2AKDM4ETTRMEN1SMN1; SMN2
SCHEMBL719416 0.88 KMT2A (0.73) KMT2AKDM4ETTRMEN1SMN1; SMN2
SCHEMBL719415 0.88 KMT2A (0.73) KMT2AKDM4ETTRMEN1SMN1; SMN2
SCHEMBL9248649 0.87 KMT2A (0.61) KMT2AKDM4ETTRMEN1SMN1; SMN2
SCHEMBL2465289 0.85 KMT2A (0.60) KMT2AKDM4ETTRMEN1SMN1; SMN2
SCHEMBL475747 0.85 KMT2A (0.60) KMT2AKDM4ETTRMEN1SMN1; SMN2

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