SCHEMBL9804241

SCHEMBL9804241

FC(F)(F)Oc1ccc(C(F)(CCCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.48
CETP P11597 10/20 0.45
FDFT1 P37268 5/20 0.43
LTA4H P09960 1/20 0.41
EPHX2 P34913 1/20 0.41
NR3C1 P04150 1/20 0.41
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL9804696 0.86 MAPK14 (0.47) MAPK14CETPFDFT1LTA4HEPHX2
SCHEMBL9804291 0.86 MAPK14 (0.49) MAPK14CETPFDFT1LTA4HEPHX2
SCHEMBL9557901 0.86 MAPK14 (0.48) MAPK14CETPFDFT1LTA4HEPHX2
SCHEMBL10446484 0.82 LTA4H (0.52) MAPK14CETPFDFT1LTA4HEPHX2
SCHEMBL9682172 0.82 MAPK14 (0.45) MAPK14CETPFDFT1LTA4HEPHX2
SCHEMBL10649121 0.81 MAPK14 (0.44) MAPK14CETPFDFT1LTA4HEPHX2
SCHEMBL9560923 0.81 MAPK14 (0.48) MAPK14CETPLTA4HEPHX2NR3C1
SCHEMBL10545123 0.80 FDFT1 (0.43) MAPK14CETPFDFT1
SCHEMBL9558339 0.79 FDFT1 (0.43) MAPK14CETPFDFT1CHRM2CHRM1
SCHEMBL10544259 0.79 FDFT1 (0.41) MAPK14CETPFDFT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0240121-B1 DIPHENYL ETHER DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-17 EP claimed
EP-0240121-B1 DIPHENYL ETHER DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-17 EP disclosed
EP-0390228-A2 Chemical intermediates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-10-03 EP disclosed
US-4791139-A Diphenyl ether derivatives and their use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-13 US disclosed
EP-0240121-A2 Diphenyl ether derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-10-07 EP disclosed