SCHEMBL28348476

SCHEMBL28348476

CC1(C)CC(S(=O)(=O)CC(OCc2ccccc2Oc2ccccc2)c2ccccc2)=NO1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.33
FAAH O00519 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
RIPK1 Q13546 1/20 0.32
SLC6A3 Q01959 1/20 0.32
F13A1 P00488 1/20 0.31
TGM2 P21980 1/20 0.31
TGM1 P22735 1/20 0.31
FFAR1 O14842 1/20 0.31
HRH1 P35367 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
SCHEMBL3157514 0.65 HSD11B1 (0.31)
SCHEMBL5283885 0.64 HSD11B1 (0.31)
SCHEMBL5302036 0.64 EGFR (0.31)
SCHEMBL3380599 0.61
SCHEMBL22911572 0.61 GAA (0.34)
SCHEMBL22911716 0.61 MAOB (0.40)
SCHEMBL22911570 0.60 POLB (0.33)
SCHEMBL22911577 0.60 MAOB (0.35)
SCHEMBL10346993 0.59 HRH1 (0.44) FFAR4SLC6A2SLC6A4RIPK1SLC6A3
SCHEMBL22911710 0.59 SLC22A12 (0.32) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109574944-B Isoxazoline derivatives and their use in agriculture 东莞市东阳光农药研发有限公司 2019-12-27 CN disclosed