SCHEMBL14726004

SCHEMBL14726004

CC(C)(C)OC(=O)NCC(CCO)OS(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
SERPINE1 P05121 1/20 0.39
SYK P43405 1/20 0.36
CA1 P00915 7/20 0.34
CA2 P00918 7/20 0.34
CA12 O43570 5/20 0.34
CA14 Q9ULX7 3/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.33
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
MALT1 Q9UDY8 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL569003 0.89 SERPINE1 (0.43) TDP1MEN1GAAKMT2ASERPINE1
SCHEMBL14722015 0.86 MEN1 (0.39) TDP1MEN1GAAKMT2ASERPINE1
SCHEMBL19723141 0.86 MEN1 (0.39) TDP1MEN1GAAKMT2ASERPINE1
SCHEMBL18361449 0.85 SYK (0.43) TDP1MEN1GAAKMT2ASERPINE1
SCHEMBL10029064 0.85 SYK (0.43) TDP1MEN1GAAKMT2ASERPINE1
SCHEMBL25189025 0.85 SYK (0.43) TDP1MEN1GAAKMT2ASERPINE1
SCHEMBL15876421 0.84 SERPINE1 (0.40) TDP1MEN1GAAKMT2ASERPINE1
SCHEMBL2860412 0.84 MEN1 (0.42) TDP1MEN1GAAKMT2ASERPINE1
SCHEMBL26774025 0.84 SERPINE1 (0.40) TDP1MEN1GAAKMT2ASERPINE1
SCHEMBL10197290 0.84 SERPINE1 (0.40) TDP1MEN1GAAKMT2ASERPINE1

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
EP-2748155-B1 ISOXAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-12-20 EP disclosed
WO-2013026695-A1 ISOXAZOLINE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-02-28 WO disclosed
WO-2013026929-A1 DIHYDROPYRROLE DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2013-02-28 WO disclosed