SCHEMBL22911577

SCHEMBL22911577

CC1(C)CC(S(=O)(=O)COc2c(F)c(F)c(OCc3ccccc3)c(F)c2F)=NO1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.35
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
VEGFA P15692 1/20 0.32
RORC P51449 1/20 0.32
KDM1A O60341 5/20 0.32
FEN1 P39748 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
PTPN1 P18031 1/20 0.31
MAOA P21397 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
SCHEMBL22911709 0.91 MAOB (0.38) MAOBL3MBTL1CA12CA1CA2
SCHEMBL22911717 0.89 MAOB (0.42) MAOBCA12OPRM1OPRD1MAOA
SCHEMBL22911716 0.87 MAOB (0.40) MAOBLMNAL3MBTL1FEN1OPRM1
SCHEMBL22911572 0.83 GAA (0.34) GAA
SCHEMBL22911574 0.82
SCHEMBL22911573 0.82
SCHEMBL22911711 0.81 CA12 (0.30) CA12CA1CA2CA9
SCHEMBL22911718 0.80
SCHEMBL22911570 0.80 POLB (0.33) MAOBCA12CA1CA2
SCHEMBL22911706 0.79 CA12 (0.32) CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112225707-B Isoxazoline derivatives and their use in agriculture 宁夏苏融达化工有限公司 2023-01-17 CN disclosed
WO-2021008485-A1 ISOXAZOLINE DERIVATIVES AND THEIR USES IN AGRICULTURE Dongguan HEC Pesticides R&D Co., Ltd. (CN) 2021-01-21 WO disclosed
CN-112225707-A Isoxazoline derivatives and their use in agriculture 东莞市东阳光农药研发有限公司 2021-01-15 CN disclosed