SCHEMBL22911570

SCHEMBL22911570

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

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP14 P50281 1/20 0.32
MAOB P27338 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
PLA2G7 Q13093 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA13 Q8N1Q1 1/20 0.30
SOS1 Q07889 1/20 0.30
MLNR O43193 1/20 0.30
CYP2D6 P10635 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
SCHEMBL22911571 0.91 MAOB (0.31) MMP2MMP9MMP14MAOB
SCHEMBL22911567 0.87 MMP14 (0.35) POLBMMP2MMP9MMP14MAOB
SCHEMBL22911709 0.87 MAOB (0.38) POLBMAOBCA12CA1CA2
SCHEMBL28417941 0.86
SCHEMBL22911590 0.85 SLC22A12 (0.33)
SCHEMBL22911572 0.85 GAA (0.34)
SCHEMBL22911712 0.83 PDE4B (0.33) POLBMMP2MMP9MMP14MAOB
SCHEMBL22911710 0.83 SLC22A12 (0.32) PTGS1PTGS2
SCHEMBL22911711 0.83 CA12 (0.30) CA12CA1CA2
SCHEMBL22911573 0.82

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