SCHEMBL9570748

SCHEMBL9570748

Fc1ccc(COCC(c2cccc(C(F)(F)F)c2)C(F)(F)F)cc1Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.42
CACNA1F O60840 2/20 0.42
CACNA1D Q01668 2/20 0.42
CACNA1S Q13698 2/20 0.42
CACNA1C Q13936 2/20 0.42
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
ACP3 P15309 2/20 0.35
MAOB P27338 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL9560399 0.89 TACR1 (0.41) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9862613 0.89 TACR1 (0.41) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9570885 0.89 TACR1 (0.37) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9570703 0.88 TACR1 (0.44) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9570910 0.88 FFAR1 (0.37) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9570679 0.88 FFAR1 (0.47) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9570666 0.87 TACR1 (0.35) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9570863 0.86 TACR1 (0.46) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9560935 0.85 LTA4H (0.36) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9561512 0.84 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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