SCHEMBL9560528

SCHEMBL9560528

Fc1ccc(COCC(c2ccc(OC(F)(F)F)cc2)C(F)(F)F)cc1Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.40
SCN10A Q9Y5Y9 2/20 0.37
LTA4H P09960 1/20 0.36
EPHX2 P34913 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
EPHX1 P07099 1/20 0.35
CHRM5 P08912 1/20 0.35
SLC7A5 Q01650 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
TACR1 P25103 3/20 0.34
CACNA1F O60840 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
NR3C1 P04150 1/20 0.34
MAPK14 Q16539 1/20 0.34
SCN9A Q15858 1/20 0.34

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
SCHEMBL9862440 0.91 SLC6A4 (0.36) CETPSCN10ASLC6A2SLC6A4SLC6A3
SCHEMBL9570771 0.91 FFAR1 (0.35) CETPTACR1CACNA1FCACNA1DCACNA1S
SCHEMBL9862431 0.91 SLC6A4 (0.36) CETPSCN10ASLC6A2SLC6A4SLC6A3
SCHEMBL9560935 0.91 LTA4H (0.36) LTA4HEPHX2SLC6A4TACR1CACNA1F
SCHEMBL9561512 0.90 TACR1 (0.36) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9561249 0.89 FFAR1 (0.40) LTA4HTACR1
SCHEMBL9570834 0.89 TACR1 (0.34) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9560399 0.89 TACR1 (0.41) CETPLTA4HEPHX2SLC6A2SLC6A4
SCHEMBL9862613 0.89 TACR1 (0.41) CETPLTA4HEPHX2SLC6A2SLC6A4
SCHEMBL9570693 0.89 TACR1 (0.36) TACR1CACNA1FCACNA1DCACNA1SCACNA1C

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
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