SCHEMBL4699882

SCHEMBL4699882

COC(=O)c1ccc(S(C)(=O)=O)c(C2=NOCC2)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
VCAM1 P19320 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
POLB P06746 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
CDK1 P06493 1/20 0.32
PTGER4 P35408 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL28530645 0.88 TSHR (0.35) LMNAKDM4EHSD17B10CA1CA2
SCHEMBL4269505 0.87 SMN1; SMN2 (0.33) VCAM1SMN1; SMN2KDM4EHSD17B10CA1
SCHEMBL4698411 0.86 GABRP (0.31) LMNAKDM4EEDNRA
SCHEMBL29429101 0.86 GABRP (0.31) LMNAKDM4EEDNRA
SCHEMBL4703228 0.85
Hydrochloric Acid SCHEMBL26633705 0.85 GABRP (0.31) EDNRA
SCHEMBL30608210 0.85
SCHEMBL13415355 0.78 SMN1; SMN2 (0.35) LMNASMN1; SMN2HSD17B10NPC1RAB9A
Topramezone SCHEMBL29566850 0.77
Topramezone SCHEMBL116121 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116947775-A Preparation method of 3- (4, 5-dihydro-3-isoxazolyl) -2-methyl-4-methylsulfonyl methyl benzoate 绍兴贝斯美化工股份有限公司 2023-10-27 CN claimed
CN-116947775-A Preparation method of 3- (4, 5-dihydro-3-isoxazolyl) -2-methyl-4-methylsulfonyl methyl benzoate 绍兴贝斯美化工股份有限公司 2023-10-27 CN disclosed
CN-116947775-A Preparation method of 3- (4, 5-dihydro-3-isoxazolyl) -2-methyl-4-methylsulfonyl methyl benzoate 绍兴贝斯美化工股份有限公司 2023-10-27 CN disclosed
CN-116947775-A Preparation method of 3- (4, 5-dihydro-3-isoxazolyl) -2-methyl-4-methylsulfonyl methyl benzoate 绍兴贝斯美化工股份有限公司 2023-10-27 CN disclosed
EP-1031573-B2 USE OF A BENZOYLPYRAZOLE COMPOUND AS HERBICIDE NIPPON SODA CO (JP) 2015-05-27 EP disclosed
EP-1031573-B1 NOVEL BENZOYLPYRAZOLE COMPOUNDS, INTERMEDIATES, AND HERBICIDES NIPPON SODA CO (JP) 2008-03-26 EP disclosed
US-6147031-A Benzoylpyrazole compounds, intermediate preparing therefor and herbicides NIPPON SODA CO., LTD. (JP) 2000-11-14 US disclosed
EP-1031573-A1 NOVEL BENZOYLPYRAZOLE COMPOUNDS, INTERMEDIATES, AND HERBICIDES NIPPON SODA CO., LTD. (JP) 2000-08-30 EP disclosed