SCHEMBL7628083

SCHEMBL7628083

CCC(COC(=O)OOC(=O)c1cc(OC)c(OC)c(OC)c1)(COC(=O)OOC(=O)c1cc(OC)c(OC)c(OC)c1)COC(=O)OOC(=O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.51
OPRD1 P41143 2/20 0.51
SLC6A4 P31645 2/20 0.51
SLC6A3 Q01959 2/20 0.51
KCNH2 Q12809 2/20 0.51
NR1I2 O75469 1/20 0.51
CHRM2 P08172 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
ADRA2B P18089 1/20 0.51
OPRK1 P41145 1/20 0.51
CHRNA4 P43681 1/20 0.51
PDE4D Q08499 1/20 0.51
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPK1 P28482 4/20 0.47
CYP3A4 P08684 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
HIF1A Q16665 2/20 0.47

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
SCHEMBL7628242 0.93 SLC29A1 (0.48) OPRM1OPRD1SLC6A4SLC6A3KCNH2
SCHEMBL7630452 0.90 OPRM1 (0.44) OPRM1OPRD1SLC6A4SLC6A3KCNH2
SCHEMBL824723 0.87 OPRM1 (0.63) OPRM1OPRD1SLC6A4SLC6A3KCNH2
SCHEMBL7626420 0.86 SLC29A1 (0.47) OPRM1OPRD1SLC6A4SLC6A3KCNH2
SCHEMBL7625275 0.85 MAPT (0.51) KMT2AMEN1SMN1; SMN2MAPK1CYP3A4
SCHEMBL7636214 0.83 SMN1; SMN2 (0.43) KMT2AMEN1SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL12930126 0.81 OPRM1 (0.67) OPRM1OPRD1SLC6A4SLC6A3KCNH2
SCHEMBL12930127 0.81 OPRM1 (0.67) OPRM1OPRD1SLC6A4SLC6A3KCNH2
SCHEMBL7632699 0.80 MAPK1 (0.37) NR1I2KMT2AMEN1MAPK1CYP3A4
SCHEMBL13130494 0.80 OPRM1 (0.56) OPRM1OPRD1SLC6A4SLC6A3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233014-A1 ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME NOF CORPORATION (JP) 2002-08-21 EP disclosed