SCHEMBL9561497

SCHEMBL9561497

FC(F)(F)OC(Cl)(COCc1cccc(Oc2ccccc2)n1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
LOX P28300 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
CHRM5 P08912 1/20 0.31
F2 P00734 2/20 0.30
F10 P00742 2/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
ST14 Q9Y5Y6 1/20 0.30
HSD17B14 Q9BPX1 1/20 0.30

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
SCHEMBL9560861 0.84 KCNH2 (0.37) KCNH2LOXLOXL2F2F10
SCHEMBL10361286 0.82 KCNH2 (0.44) KCNH2LOXLOXL2F2F10
SCHEMBL27690318 0.77 KCNH2 (0.53) KCNH2LOXL2F2F10PRSS1
SCHEMBL6856754 0.77 KCNH2 (0.44) KCNH2LOXLOXL2F2F10
SCHEMBL9682557 0.75 KCNH2 (0.40) KCNH2LOXLOXL2F2F10
SCHEMBL9519808 0.75 KCNH2 (0.40) KCNH2LOXLOXL2F2F10
SCHEMBL9560684 0.75 LTA4H (0.40) KCNH2
SCHEMBL9561348 0.74 CCR6 (0.35) KCNH2CHRM5F2F10PRSS1
SCHEMBL10664098 0.74 KCNH2 (0.42) KCNH2LOXLOXL2F2F10
SCHEMBL10360899 0.74 MEN1 (0.39) KCNH2LOXL2CHRM5F2F10

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 3 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
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