SCHEMBL9560416

SCHEMBL9560416

FC(F)(F)Oc1ccc(C(COCc2cccc(Oc3ccc(Cl)cc3)c2)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 13/20 0.43
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CNR1 P21554 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK14 Q16539 1/20 0.39
LMNA P02545 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
TACR1 P25103 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) CETPPPARGPPARAALDH1A1LMNA
SCHEMBL409881 0.92 CETP (0.50) CETPMAPK14MRGPRX4TACR1
SCHEMBL9560487 0.92 PPARG (0.47) CETPPPARGPPARAALDH1A1LMNA
SCHEMBL9570809 0.90 CETP (0.42) CETPPPARGPPARAALDH1A1LMNA
SCHEMBL9570598 0.89 CETP (0.41) CETPPPARGPPARAALDH1A1LMNA
SCHEMBL9560931 0.89 CETP (0.41) CETPPPARGPPARAALDH1A1LMNA
SCHEMBL9570619 0.87 FFAR1 (0.44) CETPMAPK14MRGPRX4
SCHEMBL9862593 0.87 FFAR1 (0.44) CETPPPARGPPARAALDH1A1LMNA
SCHEMBL118655 0.87 FFAR1 (0.44) CETPPPARGPPARAALDH1A1LMNA
SCHEMBL29370536 0.87 FFAR1 (0.44) CETPPPARGPPARAALDH1A1LMNA

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 8 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
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