SCHEMBL9561340

SCHEMBL9561340

OC(COCc1ccc(F)c(Oc2ccccc2)c1)(c1ccc(OC(F)(F)F)cc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
MAPK14 Q16539 1/20 0.37
CETP P11597 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KIF11 P52732 1/20 0.35
CCR6 P51684 4/20 0.35
KCNH2 Q12809 2/20 0.35
AR P10275 1/20 0.35
EPHX1 P07099 1/20 0.34
CHRM5 P08912 1/20 0.34
TACR1 P25103 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL9560585 0.90 MAPK14 (0.39) LTA4HEPHX2MAPK14MRGPRX4TACR1
SCHEMBL9560403 0.90 NR3C2 (0.37)
SCHEMBL9560878 0.90 LMNA (0.41)
SCHEMBL9560709 0.89 L3MBTL1 (0.36) MRGPRX4SLC6A4KCNH2
SCHEMBL9560800 0.88 SMN1; SMN2 (0.35) MAPK14MRGPRX4SLC6A4ARTACR1
SCHEMBL9560793 0.88 NR4A1 (0.36) CETPKCNH2TACR1FFAR4
SCHEMBL9560512 0.88 LMNA (0.40) LTA4HMRGPRX4KIF11
SCHEMBL9560338 0.87 ALOX5 (0.33) LTA4HEPHX2TACR1
SCHEMBL9558208 0.86 SLC6A4 (0.39) LTA4HEPHX2MAPK14CETPMRGPRX4
SCHEMBL9560860 0.85 CHRM5 (0.36) LTA4HEPHX2MAPK14CETPMRGPRX4

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