SCHEMBL9560464

SCHEMBL9560464

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.47
CETP P11597 9/20 0.43
TACR1 P25103 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.40
NR3C1 P04150 1/20 0.39
CHRM5 P08912 1/20 0.38
FFAR1 O14842 2/20 0.38
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL9560424 0.93 MAPK14 (0.40) MAPK14CETPTACR1MRGPRX4FFAR4
SCHEMBL9560366 0.89 KDM4E (0.48) MAPK14CETPFFAR1LTA4HFFAR4
SCHEMBL9560352 0.87 FFAR1 (0.42) CETPTACR1FFAR1FFAR4
SCHEMBL9560713 0.87 LTA4H (0.46) CETPMRGPRX4FFAR1LTA4HFFAR4
SCHEMBL9560923 0.86 MAPK14 (0.48) MAPK14CETPTACR1MRGPRX4NR3C1
SCHEMBL9560419 0.85 KDM4E (0.39) MAPK14CETPTACR1FFAR1FFAR4
SCHEMBL9560860 0.85 CHRM5 (0.36) MAPK14CETPTACR1MRGPRX4NR3C1
SCHEMBL8675859 0.85 MAPK14 (0.49) MAPK14CETPTACR1MRGPRX4NR3C1
SCHEMBL9560889 0.84 MAPK14 (0.49) MAPK14CETPTACR1MRGPRX4NR3C1
SCHEMBL9804696 0.82 MAPK14 (0.47) MAPK14CETPNR3C1CHRM5LTA4H

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