SCHEMBL9570679

SCHEMBL9570679

COc1cccc(C(COCc2ccc(F)c(Oc3ccccc3)c2)C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.47
TACR1 P25103 4/20 0.40
LPAR1 Q92633 2/20 0.38
LPAR5 Q9H1C0 2/20 0.38
CASR P41180 3/20 0.37
TTR P02766 1/20 0.37
CETP P11597 1/20 0.37
MAOB P27338 1/20 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

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
SCHEMBL9561249 0.92 FFAR1 (0.40) FFAR1TACR1LPAR1LPAR5TTR
SCHEMBL9570910 0.90 FFAR1 (0.37) FFAR1TACR1CACNA1FCACNA1DCACNA1S
SCHEMBL9570885 0.89 TACR1 (0.37) FFAR1TACR1CETPCACNA1FCACNA1D
SCHEMBL9570815 0.89 TTR (0.44) FFAR1TTR
SCHEMBL9570703 0.88 TACR1 (0.44) FFAR1TACR1CACNA1FCACNA1DCACNA1S
SCHEMBL9570748 0.88 TACR1 (0.42) FFAR1TACR1MAOBCACNA1FCACNA1D
SCHEMBL9570666 0.87 TACR1 (0.35) FFAR1TACR1TTRMAOBCACNA1F
SCHEMBL9570739 0.85 FFAR1 (0.34) FFAR1TACR1TTRCACNA1FCACNA1D
SCHEMBL9570693 0.85 TACR1 (0.36) FFAR1TACR1LPAR1LPAR5TTR
SCHEMBL9570632 0.85 DUT (0.35) FFAR1TACR1LPAR1LPAR5TTR

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