SCHEMBL9560897

SCHEMBL9560897

CC(C)(C)c1ccc(C(COCc2ccc(F)c(Oc3ccccc3)c2)C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.37
TACR1 P25103 8/20 0.37
CACNA1F O60840 1/20 0.35
CACNA1D Q01668 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35
MAOB P27338 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
NR4A1 P22736 1/20 0.33
NR4A2 P43354 1/20 0.33
NR4A3 Q92570 1/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
DUT P33316 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TTR P02766 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
SCHEMBL9560399 0.92 TACR1 (0.41) FFAR1TACR1CACNA1FCACNA1DCACNA1S
SCHEMBL9862613 0.92 TACR1 (0.41) FFAR1TACR1CACNA1FCACNA1DCACNA1S
SCHEMBL9561249 0.89 FFAR1 (0.40) FFAR1TACR1LPAR1LPAR5ALDH1A1
SCHEMBL9570632 0.89 DUT (0.35) FFAR1TACR1CACNA1FCACNA1DCACNA1S
SCHEMBL9570693 0.89 TACR1 (0.36) FFAR1TACR1CACNA1FCACNA1DCACNA1S
SCHEMBL9570771 0.89 FFAR1 (0.35) FFAR1TACR1CACNA1FCACNA1DCACNA1S
SCHEMBL9560935 0.89 LTA4H (0.36) FFAR1TACR1CACNA1FCACNA1DCACNA1S
SCHEMBL9561512 0.88 TACR1 (0.36) FFAR1TACR1CACNA1FCACNA1DCACNA1S
SCHEMBL409992 0.88 LTA4H (0.41) FFAR1CACNA1CMEN1KMT2ALMNA
SCHEMBL9561242 0.88 CETP (0.34) FFAR1TACR1CACNA1FCACNA1DCACNA1S

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