SCHEMBL22911571

SCHEMBL22911571

CC1(C)CC(S(=O)(=O)COc2c(F)c(F)c(Oc3ccc(Cl)cc3)c(F)c2F)=NO1

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.31
ABCB11 O95342 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP7 P09237 1/20 0.30
MMP10 P09238 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30
MMP14 P50281 1/20 0.30
ADAM17 P78536 1/20 0.30

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
SCHEMBL22911570 0.91 POLB (0.33) MAOBMMP2MMP9MMP14
SCHEMBL22911712 0.88 PDE4B (0.33) MAOBMMP1MMP2MMP3MMP9
SCHEMBL22911707 0.86 SLC22A12 (0.34)
SCHEMBL28410147 0.84
SCHEMBL28417941 0.84
SCHEMBL22911710 0.83 SLC22A12 (0.32)
SCHEMBL22911567 0.83 MMP14 (0.35) MAOBMMP1MMP2MMP3MMP9
SCHEMBL22911590 0.81 SLC22A12 (0.33)
SCHEMBL22911711 0.81 CA12 (0.30)
SCHEMBL22911572 0.81 GAA (0.34)

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