SCHEMBL9560923

SCHEMBL9560923

FC(F)(F)Oc1ccc(C(F)(COCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.48
CETP P11597 9/20 0.45
TACR1 P25103 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.42
NR3C1 P04150 1/20 0.41
FFAR1 O14842 2/20 0.39
LTA4H P09960 1/20 0.39
EPHX2 P34913 1/20 0.39
FFAR4 Q5NUL3 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
SCHEMBL9560662 0.89 CETP (0.43) MAPK14CETPTACR1MRGPRX4FFAR1
SCHEMBL8675859 0.87 MAPK14 (0.49) MAPK14CETPTACR1MRGPRX4NR3C1
SCHEMBL9560464 0.86 MAPK14 (0.47) MAPK14CETPTACR1MRGPRX4NR3C1
SCHEMBL9560889 0.86 MAPK14 (0.49) MAPK14CETPTACR1MRGPRX4NR3C1
SCHEMBL9560443 0.86 LTA4H (0.48) CETPMRGPRX4FFAR1LTA4HFFAR4
SCHEMBL9785863 0.82 MAPK14 (0.45) MAPK14CETPTACR1MRGPRX4
SCHEMBL9804241 0.81 MAPK14 (0.48) MAPK14CETPNR3C1LTA4HEPHX2
SCHEMBL10854916 0.81 NPC1 (0.43) MAPK14CETPTACR1FFAR1FFAR4
SCHEMBL10856880 0.80 NPC1 (0.41) MAPK14CETPTACR1FFAR1FFAR4
SCHEMBL9560424 0.80 MAPK14 (0.40) MAPK14CETPTACR1MRGPRX4FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5225607-A Multistage etherification or dehydrohalogenation and reductive dechlorination IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-07-06 US disclosed
US-5196610-A INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 US disclosed
EP-0211561-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-11 EP disclosed
EP-0211561-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-25 EP disclosed