SCHEMBL11030008

SCHEMBL11030008

N#CC(O)c1ccc(F)c(OC(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.41
TSHR P16473 1/20 0.38
KCNN4 O15554 3/20 0.37
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
EPHX2 P34913 1/20 0.35
RAPGEF3 O95398 1/20 0.31

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
SCHEMBL31177502 0.81 PDE2A (0.44) PDE2AKCNN4IDO1TDO2EPHX2
SCHEMBL11316434 0.77 TSHR (0.44) TSHR
SCHEMBL23172256 0.76 PDE2A (0.42) PDE2AKCNN4IDO1TDO2EPHX2
SCHEMBL9753500 0.76 TSHR (0.47) TSHR
SCHEMBL7645648 0.76 TSHR (0.47) TSHR
SCHEMBL10889414 0.76 SCN9A (0.38) TSHR
SCHEMBL31573173 0.76 TSHR (0.47) TSHR
SCHEMBL29750217 0.76 TSHR (0.47) TSHR
SCHEMBL3243488 0.76 TSHR (0.47) TSHR
SCHEMBL7604782 0.76 TSHR (0.48) TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0075146-B1 BENZYL ESTERS WITH FLUOROSUBSTITUTED ETHER GROUPS, PROCESS FOR THEIR PREPARATION AND THEIR UTILISATION AS INSECTICIDES BAYER AG (DE) 1985-10-23 EP disclosed
EP-0075146-A1 Benzyl esters with fluorosubstituted ether groups, process for their preparation and their utilisation as insecticides BAYER AG (DE) 1983-03-30 EP disclosed