SCHEMBL5014833

SCHEMBL5014833

Nc1ccc(-c2cc(C(F)(F)F)c(N)cc2S(=O)(=O)O)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 11/20 0.40
KIF11 P52732 1/20 0.40
FFAR1 O14842 3/20 0.39
PGR P06401 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
AR P10275 1/20 0.36
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
NQO1 P15559 1/20 0.35
DDR1 Q08345 1/20 0.34
PDE3B Q13370 1/20 0.33

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
Sulfuric Acid SCHEMBL8639723 0.81 FFAR4 (0.48) FFAR4KIF11FFAR1PGRCA12
SCHEMBL13385855 0.77 GLA (0.44) FFAR4KIF11FFAR1PGRAR
SCHEMBL22607036 0.77 GLA (0.47) FFAR4KIF11FFAR1PGRAR
SCHEMBL22607038 0.76 GLA (0.45) FFAR4KIF11FFAR1PGRAR
SCHEMBL6241849 0.73 ALOX5AP (0.50) FFAR4KIF11PGRCA12CA1
SCHEMBL349356 0.73 KIF11 (0.50) FFAR4KIF11FFAR1PGRAR
SCHEMBL29403371 0.73 KIF11 (0.50) FFAR4KIF11FFAR1PGRAR
SCHEMBL11243895 0.73 FFAR4 (0.54) FFAR4FFAR1CA12CA1CA2
SCHEMBL3831877 0.72 ALOX5AP (0.48) FFAR4FFAR1ARALOX5APFEN1
Sulfuric Acid SCHEMBL8641977 0.71 CA12 (0.53) FFAR4KIF11FFAR1CA12CA1

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
US-20080194794-A1 MATERIALS FOR THE MANUFACTURE OF PROTON CONDUCTING MEMBRANES, METHODS OF MAKING THE SAME, AND USES THEREOF THE UNIVERSITY OF CONNECTICUT 2008-08-14 US claimed
US-20080194794-A1 MATERIALS FOR THE MANUFACTURE OF PROTON CONDUCTING MEMBRANES, METHODS OF MAKING THE SAME, AND USES THEREOF THE UNIVERSITY OF CONNECTICUT 2008-08-14 US disclosed