SCHEMBL9561512

SCHEMBL9561512

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.36
PPARA Q07869 5/20 0.36
PPARG P37231 4/20 0.36
CACNA1F O60840 1/20 0.34
CACNA1D Q01668 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TTR P02766 1/20 0.34
FFAR1 O14842 2/20 0.33
TDP1 Q9NUW8 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
SCHEMBL9570632 0.92 DUT (0.35) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9560935 0.92 LTA4H (0.36) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9570874 0.90 TACR1 (0.39) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9570621 0.90 PPARG (0.33) PPARAPPARGFFAR1
SCHEMBL9570693 0.90 TACR1 (0.36) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9570690 0.90 SLC6A4 (0.41) TACR1PPARAPPARGCACNA1FCACNA1D
SCHEMBL9862613 0.90 TACR1 (0.41) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9561249 0.90 FFAR1 (0.40) TACR1ALDH1A1HTTL3MBTL1TTR
SCHEMBL9560528 0.90 CETP (0.40) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9570834 0.90 TACR1 (0.34) 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 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 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