SCHEMBL8918544

SCHEMBL8918544

CCOC(=O)CC([O])(OC)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 4/20 0.40
TRPA1 O75762 1/20 0.40
CYP1A2 P05177 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 1/20 0.33
SOAT1 P35610 1/20 0.33
HSD11B1 P28845 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
KDM4E B2RXH2 2/20 0.32

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
SCHEMBL8918311 0.90 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL407625 0.74 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL8158517 0.74 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10595181 0.72 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7199767 0.72 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5691458 0.72 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL181945 0.72 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28373015 0.71 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2836974 0.69 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4440571 0.69 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1

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
US-5620944-A PRE- AND POST-EMERGENT WEED CONTROL NIHON NOHYAKU CO., LTD. (JP) 1997-04-15 US disclosed
EP-0590834-B1 Phenylimidazole derivatives, processes for production thereof, herbicides comprising said derivatives, and usages of said herbicides NIHON NOHYAKU CO LTD (JP) 1996-12-11 EP disclosed
EP-0590834-A1 Phenylimidazole derivatives, processes for production thereof, herbicides comprising said derivatives, and usages of said herbicides NIHON NOHYAKU CO., LTD. (JP) 1994-04-06 EP disclosed