SCHEMBL9804277

SCHEMBL9804277

Fc1ccc(CCC=C(c2ccc(OC(F)(F)F)cc2)C(F)F)cc1Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.39
EPHX2 P34913 1/20 0.39
MAPK14 Q16539 1/20 0.38
CETP P11597 2/20 0.38
LPAR1 Q92633 7/20 0.36
LPAR5 Q9H1C0 7/20 0.36
GRIN2B Q13224 1/20 0.35
TRPV1 Q8NER1 3/20 0.35
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL9804274 1.00 LTA4H (0.39) LTA4HEPHX2MAPK14CETPLPAR1
SCHEMBL9804285 0.86 LTA4H (0.40) LTA4HEPHX2MAPK14CETPLPAR1
SCHEMBL9804279 0.86 LTA4H (0.40) LTA4HEPHX2MAPK14CETPLPAR1
SCHEMBL10446228 0.84 MAPK14 (0.38) LTA4HEPHX2MAPK14CETPLPAR1
SCHEMBL9804232 0.78 PARP10 (0.35) EPHX2MAPK14CETPGRIN2BTRPV1
SCHEMBL9804217 0.78 PARP10 (0.35) EPHX2MAPK14CETPGRIN2BTRPV1
SCHEMBL10455536 0.77 LTA4H (0.42) LTA4HEPHX2MAPK14CETPSLC6A2
SCHEMBL10455537 0.77 LTA4H (0.42) LTA4HEPHX2MAPK14CETPSLC6A2
SCHEMBL9560901 0.76 MAPK14 (0.39) LTA4HEPHX2MAPK14CETPLPAR1
SCHEMBL9560896 0.76 MAPK14 (0.39) LTA4HEPHX2MAPK14CETPLPAR1

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