SCHEMBL29088972

SCHEMBL29088972

CC(=O)CC(=O)OC(=O)/C=C\C(=O)OC(=O)CC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.52
GAA P10253 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
HCAR2 Q8TDS4 4/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
ALDH1A1 P00352 5/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 1/20 0.33
HTT P42858 1/20 0.32
KDM4E B2RXH2 2/20 0.31
KDM6B O15054 1/20 0.31
KDM5C P41229 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
MAPT P10636 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
SCHEMBL4320615 1.00 MGAM (0.52) MGAMGAASIMGAM2HCAR2
SCHEMBL29857008 0.91 HCAR2 (0.52) MGAMGAASIMGAM2HCAR2
SCHEMBL3987676 0.89 MGAM (0.46) MGAMGAASIMGAM2HCAR2
SCHEMBL27918055 0.89 MGAM (0.46) MGAMGAASIMGAM2HCAR2
Fumaric Acid SCHEMBL7086171 0.86 HCAR2 (0.47) MGAMGAASIMGAM2HCAR2
SCHEMBL28993980 0.86 PHF8 (0.45) MGAMGAASIMGAM2HCAR2
SCHEMBL26639801 0.82 MGAM (0.40) MGAMGAASIMGAM2HCAR2
SCHEMBL26639794 0.82 MGAM (0.40) MGAMGAASIMGAM2HCAR2
SCHEMBL11862931 0.81 HCAR2 (0.40) MGAMGAASIMGAM2HCAR2
SCHEMBL867454 0.81 MGAM (0.48) 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
CN-116724119-A Herbicide resistant plants 苏州齐禾生科生物科技有限公司 2023-09-08 CN disclosed