SCHEMBL6203890

SCHEMBL6203890

CCOC(=O)CCONC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
MGAM O43451 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 3/20 0.43
TRPA1 O75762 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
NR1I2 O75469 1/20 0.38
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PTGS2 P35354 1/20 0.38
PDE4D Q08499 1/20 0.38
DGKA P23743 1/20 0.38
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3899494 0.85 DGKA (0.45) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL24006348 0.84 ALDH1A1 (0.48) GAAMGAMSIMGAM2CYP1A2
SCHEMBL3904274 0.79
SCHEMBL6203994 0.77
SCHEMBL6817948 0.77 GAA (0.55) GAAMGAMSIMGAM2CYP1A2
Succinic Acid Diethyl Ester SCHEMBL27768067 0.75 GAA (0.67) GAAMGAMSIMGAM2CYP1A2
Succinic Acid Diethyl Ester SCHEMBL22780 0.75 GAA (0.67) GAAMGAMSIMGAM2CYP1A2
Dimethylamine SCHEMBL16909987 0.75 CYP1A2 (0.64) GAAMGAMSIMGAM2CYP1A2
SCHEMBL13754179 0.75 GAA (0.52) GAAMGAMSIMGAM2CYP1A2
SCHEMBL107227 0.75

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-1503994-A1 SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES Bayer CropScience AG (DE) 2005-02-09 EP disclosed
WO-2003093244-A1 SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES BAYER CROPSCIENCE AG (DE) 2003-11-13 WO disclosed