SCHEMBL17010332

SCHEMBL17010332

COC(CC(F)Cc1ncccc1S(N)(=O)=O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
MAPK1 P28482 1/20 0.35
CA5A P35218 1/20 0.34
PPARG P37231 3/20 0.33
PPARD Q03181 3/20 0.33
PPARA Q07869 3/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
FTO Q9C0B1 1/20 0.33
SRR Q9GZT4 2/20 0.32
TRPV4 Q9HBA0 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31

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
SCHEMBL17010354 0.89 TRPV4 (0.42) PPARGPPARDPPARACHRM2CHRM4
SCHEMBL28382580 0.77 GAA (0.46) KMT2A
SCHEMBL9288190 0.75 CA1 (0.38) CA1CA2CA9MAPK1CA5A
SCHEMBL28094527 0.72 CA1 (0.43) CA1CA2CA9MAPK1FTO
SCHEMBL28094337 0.72 CA1 (0.43) CA1CA2CA9MAPK1FTO
SCHEMBL28129506 0.72 CA1 (0.47) CA1CA2CA9MAPK1CA5A
SCHEMBL6946661 0.70 CA1 (0.35) CA1CA2CA9MAPK1CA5A
SCHEMBL6943097 0.68 CA1 (0.35) CA1CA2CA9MAPK1CA5A
SCHEMBL3448835 0.67 CA2 (0.51) CA1CA2CA9MAPK1CA5A
SCHEMBL17010330 0.66 CHRM2 (0.35) CA1CA2CA9MAPK1CA5A

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
WO-2015123228-A1 PROCESSES FOR THE SYNTHESIS OF INTERMEDIATES OF THE HERBICIDE FLUCETOSULFURON FMC CORPORATION (US) 2015-08-20 WO disclosed