SCHEMBL16487170

SCHEMBL16487170

CCOC=CNC(C(=O)OCC)C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
ALDH1A1 P00352 4/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX15 P16050 1/20 0.32
SOAT1 P35610 1/20 0.32
CAD P27708 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
CYP2D6 P10635 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GLO1 Q04760 1/20 0.31

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
SCHEMBL837941 0.79 MGAM (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL12682934 0.78 CA12 (0.38) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13911904 0.74 CYP2C9 (0.38) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11901718 0.74 CYP2C9 (0.38) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11901721 0.74 CYP2C9 (0.38) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4623923 0.71 MGAM (0.38) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2572352 0.69 ALDH1A1 (0.38) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2572768 0.68 CA12 (0.37) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13367073 0.68 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL15493832 0.66 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1

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
WO-2015022284-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2015-02-19 WO disclosed