SCHEMBL9560931

SCHEMBL9560931

FC(F)(F)c1ccc(C(COCc2cccc(Oc3ccc(Cl)cc3)c2)C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.41
FDFT1 P37268 1/20 0.41
PPARG P37231 4/20 0.40
PPARA Q07869 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MRGPRX4 Q96LA9 2/20 0.38
LMNA P02545 2/20 0.38
FFAR1 O14842 1/20 0.37
CNR2 P34972 1/20 0.37
TACR1 P25103 2/20 0.37
CACNA1F O60840 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
CACNA1C Q13936 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL9560890 0.94 CETP (0.44) CETPFDFT1PPARGPPARAALDH1A1
SCHEMBL9560487 0.92 PPARG (0.47) CETPFDFT1PPARGPPARAALDH1A1
SCHEMBL9570872 0.92 CETP (0.48) CETPFDFT1MRGPRX4FFAR1TACR1
SCHEMBL9862434 0.92 CETP (0.48) CETPFDFT1MRGPRX4FFAR1TACR1
SCHEMBL9570809 0.90 CETP (0.42) CETPFDFT1PPARGPPARAALDH1A1
SCHEMBL9560416 0.89 CETP (0.43) CETPPPARGPPARAALDH1A1MRGPRX4
SCHEMBL9570598 0.89 CETP (0.41) CETPFDFT1PPARGPPARAALDH1A1
SCHEMBL9862593 0.87 FFAR1 (0.44) CETPPPARGPPARAALDH1A1MRGPRX4
SCHEMBL9570636 0.87 FFAR1 (0.44) CETPFDFT1PPARGMRGPRX4LMNA
SCHEMBL118655 0.87 FFAR1 (0.44) CETPPPARGPPARAALDH1A1MRGPRX4

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 7 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 claimed
US-5196610-A INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 US claimed
EP-0211561-B1 INSECTICIDAL ETHERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-11 EP claimed
EP-0211561-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-25 EP claimed
EP-0545891-A2 Aldehyde compounds and derivatives thereof useful as intermediates in the preparation of insectical ether compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-09 EP disclosed
US-4840971-A INSECTICIDES, MITICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-20 US disclosed
EP-0240978-A2 Ether compounds, process for their preparation, compositions containing the same and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-14 EP disclosed