SCHEMBL8732897

SCHEMBL8732897

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

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.33
KCNK3 O14649 2/20 0.33
KCNK9 Q9NPC2 2/20 0.33
EPHX2 P34913 1/20 0.32
F2R P25116 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
SCHEMBL8732405 0.90 KCNK3 (0.33) PPARGKCNK3KCNK9EPHX2F2R
SCHEMBL8732699 0.89 KCNK3 (0.33) PPARGKCNK3KCNK9EPHX2F2R
SCHEMBL9069348 0.89 KCNK3 (0.33) PPARGKCNK3KCNK9EPHX2F2R
SCHEMBL8732023 0.89 KCNK3 (0.33) KCNK3KCNK9F2R
SCHEMBL8731844 0.87 KCNK3 (0.32) PPARGKCNK3KCNK9F2R
SCHEMBL8734612 0.86 KCNK3 (0.31) PPARGKCNK3KCNK9EPHX2F2R
SCHEMBL8735717 0.84 SLC6A2 (0.31) PPARGEPHX2
SCHEMBL8729974 0.83 KDM2B (0.37) PPARGKCNK3KCNK9EPHX2F2R
SCHEMBL8732676 0.82 CA12 (0.31)
SCHEMBL8735535 0.82 F2R (0.34) PPARGKCNK3KCNK9EPHX2F2R

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-0699390-B1 Compositions containing phosphosulfonate herbicides and dichloroacetamide safeners, and method of use ROHM & HAAS (US) 1998-10-07 EP claimed