SCHEMBL9560860

SCHEMBL9560860

Fc1ccc(COCC(Cl)(c2ccc(OC(F)(F)F)cc2)C(F)(F)F)cc1Oc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.36
LTA4H P09960 1/20 0.35
EPHX2 P34913 1/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KIF11 P52732 1/20 0.35
MAPK14 Q16539 1/20 0.35
CETP P11597 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.33
TACR1 P25103 1/20 0.33
NR3C1 P04150 1/20 0.33
TTR P02766 1/20 0.32
HCRTR1 O43613 6/20 0.32
HCRTR2 O43614 6/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL9560787 0.90 L3MBTL1 (0.34) SLC6A4MRGPRX4TACR1TTR
SCHEMBL9561293 0.90 LMNA (0.35) LTA4HEPHX2SLC6A4MRGPRX4TACR1
SCHEMBL9560804 0.90 TTR (0.39) LTA4HTTR
SCHEMBL9560696 0.88 TACR1 (0.36) MRGPRX4TACR1TTRFFAR4
SCHEMBL9560321 0.88 MAPT (0.40) LTA4HSLC6A4SLC6A2SLC6A3KIF11
SCHEMBL9560383 0.87 TTR (0.34) LTA4HEPHX2TACR1TTR
SCHEMBL9558208 0.86 SLC6A4 (0.39) CHRM5LTA4HEPHX2SLC6A4SLC6A2
SCHEMBL9561340 0.85 LTA4H (0.38) CHRM5LTA4HEPHX2SLC6A4SLC6A2
SCHEMBL9560464 0.85 MAPK14 (0.47) CHRM5LTA4HEPHX2MAPK14CETP
SCHEMBL9637902 0.83 L3MBTL1 (0.33) LTA4HMRGPRX4TACR1TTRHCRTR1

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