SCHEMBL8499302

SCHEMBL8499302

Cc1cc(C(F)(c2ccc(OS(=O)(=O)C(F)(F)F)c(C)c2)C(F)(F)C(F)(F)F)ccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
STS P08842 1/20 0.35
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MRGPRX4 Q96LA9 2/20 0.33
PTGDR2 Q9Y5Y4 4/20 0.32
PPARD Q03181 2/20 0.32
EPAS1 Q99814 1/20 0.30
HSD11B1 P28845 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
SCHEMBL3843816 0.84 GAA (0.37) GAASTSDRD2DRD1DRD4
SCHEMBL26601724 0.83 CA1 (0.37) GAASTSDRD2DRD1DRD4
SCHEMBL29365046 0.83 CA1 (0.50) GAASTSDRD2DRD1DRD4
SCHEMBL1772862 0.83 CA1 (0.50) GAASTSDRD2DRD1DRD4
SCHEMBL31195498 0.79 CA1 (0.44) GAASTSDRD2DRD1DRD4
SCHEMBL2989290 0.79 CA1 (0.44) GAASTSDRD2DRD1DRD4
SCHEMBL3841055 0.79 GAA (0.39) GAASTSDRD2DRD1DRD4
SCHEMBL29492903 0.78 MAPK1 (0.41) GAASTSDRD2DRD1DRD4
SCHEMBL20556401 0.78 MAPK1 (0.41) GAASTSDRD2DRD1DRD4
SCHEMBL31195545 0.78 MRGPRX4 (0.40) STSDRD2DRD1DRD4DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0956312-A1 PROCESS FOR PRODUCING PHENYLENE-CONTAINING POLYMER AND FILM-FORMING MATERIAL JSR Corporation (JP) 1999-11-17 EP disclosed
WO-1998033836-A1 PROCESS FOR PRODUCING PHENYLENE-CONTAINING POLYMER AND FILM-FORMING MATERIAL JSR CORPORATION (JP) 1998-08-06 WO disclosed