SCHEMBL7608682

SCHEMBL7608682

COCc1cnc(OC(=O)OC)c(OC(=O)OC)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ICAM1 P05362 2/20 0.33
SELE P16581 2/20 0.33
CUL4A Q13619 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ACACB O00763 1/20 0.33
JAK2 O60674 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
VCAM1 P19320 1/20 0.32
CYP11B2 P19099 1/20 0.31
KCNH2 Q12809 1/20 0.31
ATM Q13315 1/20 0.31
HCAR2 Q8TDS4 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK10 P53779 1/20 0.30

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
SCHEMBL7608571 0.87 CUL4A (0.36) KDM4EICAM1SELECUL4AALDH1A1
SCHEMBL8649523 0.83 HCAR2 (0.34) ICAM1SELEALDH1A1GAAVCAM1
SCHEMBL7608027 0.79 KDM4E (0.39) KDM4EHPGDHSD17B10CUL4AALDH1A1
SCHEMBL11784015 0.75 HSD17B10 (0.35) KDM4EHPGDHSD17B10CUL4AALDH1A1
SCHEMBL8785398 0.73 CSF1R (0.38) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL9678306 0.73 CUL4A (0.39) CUL4AALDH1A1
SCHEMBL8786349 0.71 SCN9A (0.37) SMN1; SMN2GAAMAPTHTT
SCHEMBL8090536 0.68 PTGS2 (0.47) KDM4EHPGDHSD17B10HTT
SCHEMBL7808610 0.68 ALOX15 (0.44) KDM4EHPGDHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL8099009 0.67 ACACB (0.41) HPGDCUL4AALDH1A1SMN1; SMN2ACACB

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-0820987-B1 Process for the preparation of pyridine-2,3-dicarboxylic acid esters LONZA AG (CH) 2002-11-06 EP disclosed
EP-0820987-A1 Process for the preparation of pyridine-2,3-dicarboxylic acid esters LONZA AG (CH) 1998-01-28 EP disclosed