SCHEMBL9570728

SCHEMBL9570728

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 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
FFAR1 O14842 3/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
LPAR1 Q92633 2/20 0.33
LPAR5 Q9H1C0 2/20 0.33
CYP17A1 P05093 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SCN8A Q9UQD0 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
FAAH O00519 1/20 0.32
PIK3CD O00329 1/20 0.32

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
SCHEMBL409992 0.90 LTA4H (0.41) CETPCACNA1CFFAR1
SCHEMBL9560399 0.89 TACR1 (0.41) CETPTACR1CACNA1FCACNA1DCACNA1S
SCHEMBL9862613 0.89 TACR1 (0.41) CETPTACR1CACNA1FCACNA1DCACNA1S
SCHEMBL9560935 0.89 LTA4H (0.36) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9561512 0.88 TACR1 (0.36) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9570826 0.88 LTA4H (0.38) CETPFFAR1HDAC1FAAH
SCHEMBL9560528 0.87 CETP (0.40) CETPTACR1CACNA1FCACNA1DCACNA1S
SCHEMBL9561249 0.87 FFAR1 (0.40) TACR1FFAR1LPAR1LPAR5
SCHEMBL9570693 0.87 TACR1 (0.36) TACR1CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL9570834 0.87 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 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