SCHEMBL8218945

SCHEMBL8218945

Cc1ccc(S(=O)(=O)OCCOCCOCC(F)(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
CA1 P00915 4/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
STAT3 P40763 1/20 0.34
PSMD10 O75832 1/20 0.34
CA2 P00918 3/20 0.33
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
GAA P10253 1/20 0.33
PTGS2 P35354 1/20 0.32
VDR P11473 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32

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
SCHEMBL17255514 0.86 ALDH1A1 (0.43) ALDH1A1CA1CA12CA9STAT3
SCHEMBL7670882 0.86 ALDH1A1 (0.43) ALDH1A1CA1CA12CA9STAT3
SCHEMBL499750 0.84 CA12 (0.42) ALDH1A1CA1CA12CA9STAT3
SCHEMBL17612136 0.83 ALDH1A1 (0.41) ALDH1A1CA1CA12CA9STAT3
SCHEMBL7906895 0.83 CA12 (0.46) ALDH1A1CA1CA12CA9STAT3
SCHEMBL7904541 0.83 CA12 (0.46) ALDH1A1CA1CA12CA9STAT3
SCHEMBL881292 0.82 ALDH1A1 (0.53) ALDH1A1CA1CA12CA9STAT3
SCHEMBL1145153 0.82 ALDH1A1 (0.53) ALDH1A1CA1CA12CA9STAT3
SCHEMBL18613994 0.82 ALDH1A1 (0.53) ALDH1A1CA1CA12CA9STAT3
SCHEMBL4379133 0.82 ALDH1A1 (0.53) ALDH1A1CA1CA12CA9STAT3

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-0641850-B1 Mesomorphic compound, liquid crystal composition containing the compound, liquid crystal device using the composition, liquid crystal apparatus and display method CANON KK (JP) 2000-04-26 EP disclosed
US-5868960-A PROVIDING HIGH SPEED RESPONSIVENESS, HIGH CONTRAST, DECREASED TEMPERATURE DEPENDENCE CANON KABUSHIKI KAISHA (JP) 1999-02-09 US disclosed
EP-0641850-A1 Mesomorphic compound, liquid crystal composition containing the compound, liquid crystal device using the composition, liquid crystal apparatus and display method CANON KABUSHIKI KAISHA (JP) 1995-03-08 EP disclosed