SCHEMBL8735535

SCHEMBL8735535

CCc1cccc(OC(F)(F)F)c1S(=O)(=O)OCP(=O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.34
PPARG P37231 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PTPN5 P54829 1/20 0.33
GAA P10253 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
EPHX2 P34913 1/20 0.32
KCNK3 O14649 3/20 0.32
KCNK9 Q9NPC2 3/20 0.32
ALDH1A1 P00352 1/20 0.32
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
RORC P51449 2/20 0.31
DDR1 Q08345 2/20 0.30
SLC6A3 Q01959 2/20 0.30
SLC6A2 P23975 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
SCHEMBL8735011 0.85 PPARG (0.31) F2RPPARGGAAEPHX2HCRTR1
SCHEMBL8734581 0.85 GAA (0.34) F2RGAAEPHX2KCNK3KCNK9
SCHEMBL8732405 0.83 KCNK3 (0.33) F2RPPARGEPHX2KCNK3KCNK9
SCHEMBL8732699 0.82 KCNK3 (0.33) F2RPPARGEPHX2KCNK3KCNK9
SCHEMBL8732897 0.82 PPARG (0.33) F2RPPARGEPHX2KCNK3KCNK9
SCHEMBL8734721 0.82 GABRA1 (0.38) PTPN5GAAGABRA1GABRB2EPHX2
SCHEMBL8731844 0.81 KCNK3 (0.32) F2RPPARGKCNK3KCNK9RORC
SCHEMBL8734733 0.80 KEAP1 (0.35) PTPN5GAAGABRA1GABRB2ALDH1A1
SCHEMBL8732246 0.80 GABRA1 (0.33) F2RPPARGHDAC3HDAC1HDAC2
SCHEMBL8734612 0.80 KCNK3 (0.31) F2RPPARGEPHX2KCNK3KCNK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699390-B1 Compositions containing phosphosulfonate herbicides and dichloroacetamide safeners, and method of use ROHM & HAAS (US) 1998-10-07 EP claimed
EP-0699390-A2 Compositions containing phosphosulfonate herbicides and dichloroacetamide safeners, and method of use ROHM AND HAAS COMPANY (US) 1996-03-06 EP claimed
EP-0699390-B1 Compositions containing phosphosulfonate herbicides and dichloroacetamide safeners, and method of use ROHM & HAAS (US) 1998-10-07 EP disclosed
EP-0699390-A2 Compositions containing phosphosulfonate herbicides and dichloroacetamide safeners, and method of use ROHM AND HAAS COMPANY (US) 1996-03-06 EP disclosed