SCHEMBL9560443

SCHEMBL9560443

CCOc1ccc(C(F)(COCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.48
CETP P11597 2/20 0.44
FFAR1 O14842 5/20 0.43
FFAR4 Q5NUL3 1/20 0.42
MAPK1 P28482 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL27691533 0.93 LTA4H (0.40) LTA4HCETPFFAR1FFAR4MAPK1
SCHEMBL9560806 0.92 ALDH1A1 (0.42) LTA4HCETPFFAR1FFAR4MAPK1
SCHEMBL9560662 0.87 CETP (0.43) LTA4HCETPFFAR1FFAR4MRGPRX4
SCHEMBL9560713 0.87 LTA4H (0.46) LTA4HCETPFFAR1FFAR4MAPK1
SCHEMBL9560412 0.87 LTA4H (0.46) LTA4HCETPFFAR1FFAR4MAPK1
SCHEMBL9560923 0.86 MAPK14 (0.48) LTA4HCETPFFAR1FFAR4MRGPRX4
Etofenprox SCHEMBL421768 0.86 LTA4H (0.53) LTA4HCETPFFAR1FFAR4MRGPRX4
Etofenprox SCHEMBL27691 0.86 LTA4H (0.53) LTA4HCETPFFAR1FFAR4MRGPRX4
Etofenprox SCHEMBL29497314 0.86 LTA4H (0.53) LTA4HCETPFFAR1FFAR4MRGPRX4
SCHEMBL9560514 0.85 MAPT (0.41) LTA4HFFAR1MAPK1MRGPRX4SMN1; SMN2

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