SCHEMBL7529224

SCHEMBL7529224

Cc1ccc(S(=O)(=O)OCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.34
CA1 P00915 6/20 0.33
CA2 P00918 5/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
ALDH1A1 P00352 5/20 0.33
BCHE P06276 2/20 0.32
ACHE P22303 2/20 0.32
GAA P10253 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 2/20 0.32
VDR P11473 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
SIRT5 Q9NXA8 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
SCHEMBL7756826 0.84 CA1 (0.35) STAT3CA1CA2CA12CA9
SCHEMBL7755223 0.83 CA1 (0.34) STAT3CA1CA2CA12CA9
SCHEMBL20349211 0.81 STAT3 (0.33) STAT3CA1CA12CA9ALDH1A1
SCHEMBL7754438 0.79 PSMD10 (0.37) STAT3CA1CA2CA12CA9
SCHEMBL4335889 0.79 CA2 (0.39) STAT3CA1CA2CA12CA9
SCHEMBL8386701 0.76 ALDH1A1 (0.32) CA1CA2ALDH1A1CYP3A4CYP2C9
SCHEMBL2533175 0.75 GAA (0.41) STAT3CA1CA2CA12CA9
SCHEMBL4127038 0.75 GAA (0.41) CA1CA2CA12CA9ALDH1A1
SCHEMBL7756827 0.75 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL19436459 0.75 GAA (0.43) STAT3CA1CA2CA12CA9

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-1017757-B1 FERROELECTRIC LIQUID CRYSTAL DISPLAY PROVIDED WITH ACTIVE- MATRIX ELEMENTS AVENTIS RES & TECH GMBH & CO (DE) 2002-04-10 EP disclosed
US-6368679-B1 ENANTIOMORPHS AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2002-04-09 US disclosed