SCHEMBL5239240

SCHEMBL5239240

FC(F)(F)Oc1ccc(Br)cc1.FC(F)(F)Oc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.47
EPHX2 P34913 2/20 0.47
TSHR P16473 1/20 0.46
NR3C1 P04150 1/20 0.46
MAPT P10636 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
FAAH O00519 1/20 0.43
MAPK14 Q16539 1/20 0.43
CETP P11597 1/20 0.42
NR1H2 P55055 1/20 0.42
BAX Q07812 1/20 0.42
MAOA P21397 1/20 0.42
MCL1 Q07820 1/20 0.42
KIF11 P52732 2/20 0.41
CHRM5 P08912 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40

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
SCHEMBL1393658 0.92 MAPT (0.52) LTA4HEPHX2MAPTSLC6A2SLC6A4
SCHEMBL3306191 0.90 LTA4H (0.57) LTA4HEPHX2TSHRNR3C1MAPT
SCHEMBL8113103 0.87 GRIN2B (0.42) LTA4HEPHX2TSHRMAPTKIF11
SCHEMBL220074 0.85 MAPT (0.47) EPHX2TSHRMAPTKIF11SMN1; SMN2
SCHEMBL7469958 0.83 MAPT (0.45) EPHX2TSHRMAPTKIF11SMN1; SMN2
SCHEMBL30056405 0.83 MAPT (0.45) EPHX2TSHRMAPTKIF11SMN1; SMN2
SCHEMBL18105336 0.83 LTA4H (0.67) LTA4HTSHRMAPTNR1H2BAX
SCHEMBL314422 0.83 LTA4H (0.67) LTA4HTSHRMAPTNR1H2BAX
SCHEMBL31360383 0.81 CETP (0.43) LTA4HEPHX2MAPTSLC6A2SLC6A4
Bromide SCHEMBL28835122 0.81 MAPT (0.44) EPHX2TSHRMAPTKIF11SMN1; SMN2

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-1763515-A1 4-TRIFLUOROMETHOXYPHENOXYBENZOL-4'-SULFONIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF IN MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2007-03-21 EP disclosed
WO-2006002764-A1 4-TRIFLUOROMETHOXYPHENOXYBENZOL-4'-SULFONIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF IN MEDICAMENTS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-01-12 WO disclosed