SCHEMBL9804273

SCHEMBL9804273

FC(F)(F)Oc1ccc(/C(=C\CCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.52
CETP P11597 9/20 0.46
LTA4H P09960 1/20 0.42
EPHX2 P34913 1/20 0.42
GRIN2B Q13224 2/20 0.42
TRPV1 Q8NER1 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
NR3C1 P04150 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
SCHEMBL9804276 1.00 MAPK14 (0.52) MAPK14CETPLTA4HEPHX2GRIN2B
SCHEMBL7932267 0.91 AKR1C3 (0.42) MAPK14CETP
SCHEMBL7932271 0.91 AKR1C3 (0.42) MAPK14CETP
SCHEMBL9804320 0.89 KDM4E (0.48) MAPK14CETPLTA4HGRIN2B
SCHEMBL9804325 0.89 KDM4E (0.48) MAPK14CETPLTA4HGRIN2B
SCHEMBL9804383 0.88 CETP (0.41) MAPK14CETPLTA4HEPHX2
SCHEMBL9804381 0.88 CETP (0.41) MAPK14CETPLTA4HEPHX2
SCHEMBL9804470 0.87 MAPK14 (0.47) MAPK14CETPLTA4HEPHX2MRGPRX4
SCHEMBL9804377 0.87 PPARD (0.44) MAPK14CETP
SCHEMBL9804529 0.87 PPARG (0.44) MAPK14CETP

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