SCHEMBL28294082

SCHEMBL28294082

N#CC(=O)c1ccccc1COc1cccc2c1OCO2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.41
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
MTNR1A P48039 4/20 0.38
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
ALKBH1 Q13686 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4C Q9H3R0 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MT-CO2 P00403 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
FAAH O00519 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
SCHEMBL28295913 0.85 TP53 (0.57) FOLH1TP53HTTKMT2ATDP1
SCHEMBL28295914 0.79 KMT2A (0.40) KMT2ATDP1L3MBTL1MEN1MTNR1A
SCHEMBL8783068 0.77 TP53 (0.48) FOLH1TP53HTTKMT2AL3MBTL1
SCHEMBL8101220 0.76 RXRA (0.47) FOLH1TP53HTTALDH1A1
SCHEMBL8782015 0.76 HTT (0.47) FOLH1TP53HTTKMT2AL3MBTL1
SCHEMBL8782020 0.76 TP53 (0.69) TP53HTTKMT2AMEN1ALDH1A1
SCHEMBL28325500 0.75 MTNR1A (0.44) KMT2ATDP1L3MBTL1MTNR1ACTNNB1
SCHEMBL28873233 0.75 KMT2A (0.38) KMT2ATDP1L3MBTL1MEN1MTNR1A
SCHEMBL28001740 0.74 HIF1A (0.46) FOLH1MTNR1ACTNNB1WNT3AMT-CO2
SCHEMBL9442060 0.73 RXRA (0.50) FOLH1TP53HTTKMT2AL3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109912417-A A kind of 2-(2- methylenedioxy phenoxy methyl)-methyl benzoylformate synthetic method 京博农化科技有限公司 2019-06-21 CN claimed
CN-109651190-A A kind of synthetic method of kresoxim-methyl 京博农化科技有限公司 2019-04-19 CN claimed
CN-110396054-A A kind of green synthesis method of kresoxim-methyl JINGBO AGROCHEMICALS TECH CO LTD 2019-11-01 CN disclosed
CN-109912417-A A kind of 2-(2- methylenedioxy phenoxy methyl)-methyl benzoylformate synthetic method 京博农化科技有限公司 2019-06-21 CN disclosed
CN-109912417-A A kind of 2-(2- methylenedioxy phenoxy methyl)-methyl benzoylformate synthetic method 京博农化科技有限公司 2019-06-21 CN disclosed
CN-109651190-A A kind of synthetic method of kresoxim-methyl 京博农化科技有限公司 2019-04-19 CN disclosed
CN-109651190-A A kind of synthetic method of kresoxim-methyl 京博农化科技有限公司 2019-04-19 CN disclosed