SCHEMBL9682557

SCHEMBL9682557

CC(C)(CF)COCc1cccc(Oc2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
LOX P28300 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
F2 P00734 3/20 0.33
F10 P00742 3/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
HSD17B14 Q9BPX1 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAP4K4 O95819 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 3/20 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
SCHEMBL9682509 0.88 KCNH2 (0.41) KCNH2LOXLOXL2F2F10
SCHEMBL9517359 0.87 KCNH2 (0.40) KCNH2F2F10PRSS1PRSS2
SCHEMBL9683201 0.87 KCNH2 (0.40) KCNH2LOXLOXL2F2F10
SCHEMBL9519808 0.87 KCNH2 (0.40) KCNH2LOXLOXL2F2F10
SCHEMBL6856754 0.86 KCNH2 (0.44) KCNH2LOXLOXL2F2F10
SCHEMBL10664098 0.83 KCNH2 (0.42) KCNH2LOXLOXL2F2F10
SCHEMBL9681461 0.83 KCNH2 (0.41) KCNH2LOXLOXL2F2F10
SCHEMBL9682549 0.82 KCNH2 (0.35) KCNH2LOXLOXL2SMN1; SMN2CYP4F2
SCHEMBL27690318 0.81 KCNH2 (0.53) KCNH2LOXL2F2F10PRSS1
SCHEMBL10361286 0.81 KCNH2 (0.44) KCNH2LOXLOXL2F2F10

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
US-5093373-A PHENOXY-BENZYL ETHER COMPOUNDS, COMPOSITIONS CONTAINING SAME, AND INSECTICIDAL METHOD OF USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-03-03 US disclosed
US-5006538-A Application to rice plants SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-04-09 US disclosed
EP-0315916-A2 Ether compound, a method for producing it, a composition containing it as an active ingredient and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-05-17 EP disclosed