SCHEMBL9560935

SCHEMBL9560935

Fc1ccc(C(COCc2ccc(F)c(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.36
EPHX2 P34913 2/20 0.36
TACR1 P25103 6/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
LPAR1 Q92633 5/20 0.35
LPAR5 Q9H1C0 5/20 0.35
FFAR1 O14842 1/20 0.34
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
DUT P33316 1/20 0.33

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
SCHEMBL9561512 0.92 TACR1 (0.36) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9570632 0.91 DUT (0.35) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9560399 0.91 TACR1 (0.41) LTA4HEPHX2TACR1CACNA1FCACNA1D
SCHEMBL9570771 0.91 FFAR1 (0.35) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9570693 0.91 TACR1 (0.36) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9561249 0.91 FFAR1 (0.40) LTA4HTACR1LPAR1LPAR5FFAR1
SCHEMBL9862613 0.91 TACR1 (0.41) LTA4HEPHX2TACR1CACNA1FCACNA1D
SCHEMBL9560528 0.91 CETP (0.40) LTA4HEPHX2TACR1CACNA1FCACNA1D
SCHEMBL9570834 0.91 TACR1 (0.34) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9570666 0.91 TACR1 (0.35) 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 disclosed
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-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
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
EP-0211561-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-02-25 EP disclosed