SCHEMBL7995128

SCHEMBL7995128

CCOC(=O)CC(=O)OC(C)(C)C.COC(=O)CC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.60
MGAM O43451 2/20 0.60
SI P14410 2/20 0.60
MGAM2 Q2M2H8 2/20 0.60
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 5/20 0.40
TRPA1 O75762 1/20 0.40
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA14 Q9ULX7 1/20 0.39
DGAT1 O75907 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
Malonic Acid Diethyl Ester SCHEMBL6251730 1.00 GAA (0.60) GAAMGAMSIMGAM2CYP1A2
SCHEMBL223549 0.94 GAA (0.68) GAAMGAMSIMGAM2CYP1A2
SCHEMBL332199 0.87 GAA (0.48) GAAMGAMSIMGAM2CA12
Malonic Acid SCHEMBL28338385 0.86 GAA (0.58) GAAMGAMSIMGAM2CYP1A2
SCHEMBL4618321 0.85 GAA (0.46) GAAMGAMSIMGAM2CA12
SCHEMBL3740642 0.85 GAA (0.46) GAAMGAMSIMGAM2CA12
SCHEMBL11393379 0.85 GAA (0.46) GAAMGAMSIMGAM2CA12
SCHEMBL79626 0.85 GAA (0.83) GAAMGAMSIMGAM2CYP1A2
Malonic Acid Diethyl Ester SCHEMBL9240766 0.85 GAA (0.83) GAAMGAMSIMGAM2CYP1A2
SCHEMBL28338387 0.84 GAA (0.54) GAAMGAMSIMGAM2CYP1A2

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
US-6294577-B1 TREATING THE OBJECT OR AREA WITH ANT REPELLENT AGENT SELECTED FROM DIMETHYL SUCCINATE, DIETHYL ADIPATE, DIETHYL MALONATE, AND MIXTURES AND CARRIERS FOR REPELLING ANTS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2001-09-25 US disclosed