SCHEMBL19723041

SCHEMBL19723041

CS(=O)OCCC(CNC(=O)OC(C)(C)C)OS(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
SERPINE1 P05121 1/20 0.35
SYK P43405 1/20 0.33
CA12 O43570 8/20 0.32
CA1 P00915 8/20 0.32
CA2 P00918 8/20 0.32
CA9 Q16790 6/20 0.32
TDP1 Q9NUW8 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
EPHX1 P07099 1/20 0.30
CA14 Q9ULX7 2/20 0.30
CA7 P43166 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
SCHEMBL14541036 0.85 MEN1 (0.38) MEN1GAAKMT2ASERPINE1SYK
SCHEMBL14722015 0.84 MEN1 (0.39) MEN1GAAKMT2ASERPINE1SYK
SCHEMBL19723141 0.84 MEN1 (0.39) MEN1GAAKMT2ASERPINE1SYK
SCHEMBL569003 0.82 SERPINE1 (0.43) MEN1GAAKMT2ASERPINE1SYK
SCHEMBL14726004 0.81 TDP1 (0.43) MEN1GAAKMT2ASERPINE1SYK
SCHEMBL25189025 0.78 SYK (0.43) MEN1GAAKMT2ASERPINE1SYK
SCHEMBL10029064 0.78 SYK (0.43) MEN1GAAKMT2ASERPINE1SYK
SCHEMBL18361449 0.78 SYK (0.43) MEN1GAAKMT2ASERPINE1SYK
SCHEMBL15876421 0.77 SERPINE1 (0.40) MEN1GAAKMT2ASERPINE1SYK
SCHEMBL2860412 0.77 MEN1 (0.42) MEN1GAAKMT2ASERPINE1SYK

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
EP-2748155-B1 ISOXAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-12-20 EP disclosed