SCHEMBL9517359

SCHEMBL9517359

CC(C)(CO)COCc1cccc(Oc2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
F2 P00734 4/20 0.35
F10 P00742 4/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
ST14 Q9Y5Y6 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TRPV3 Q8NET8 1/20 0.34
CYP4A11 Q02928 2/20 0.34
CYP4F2 P78329 1/20 0.34
POLB P06746 1/20 0.33
HSD17B14 Q9BPX1 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NUDT1 P36639 1/20 0.32
MAP4K4 O95819 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
SCHEMBL9682509 0.88 KCNH2 (0.41) KCNH2F2F10PRSS1PRSS2
SCHEMBL9683201 0.87 KCNH2 (0.40) KCNH2F2F10PRSS1PRSS2
SCHEMBL9682557 0.87 KCNH2 (0.40) KCNH2F2F10PRSS1PRSS2
SCHEMBL9519808 0.87 KCNH2 (0.40) KCNH2F2F10PRSS1PRSS2
SCHEMBL6856754 0.86 KCNH2 (0.44) KCNH2F2F10PRSS1PRSS2
SCHEMBL9681461 0.83 KCNH2 (0.41) KCNH2F2F10PRSS1PRSS2
SCHEMBL9682549 0.82 KCNH2 (0.35) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL27690318 0.81 KCNH2 (0.53) KCNH2F2F10PRSS1PRSS2
SCHEMBL10361286 0.81 KCNH2 (0.44) KCNH2F2F10PRSS1PRSS2
SCHEMBL10359460 0.81 KCNH2 (0.39) KCNH2F2F10PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0315916-B1 Ether compound, a method for producing it, a composition containing it as an active ingredient and its use SUMITOMO CHEMICAL CO (JP) 1993-12-01 EP disclosed
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-0227369-B1 INSECTICIDAL ALKENES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-04-18 EP disclosed
US-4904677-A Certain phenoxy- or benzyl substituted pyridylmethyloxy-alkenes having insecticidal properties IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-02-27 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
US-4812483-A PESTICIDES, MITICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-03-14 US disclosed
US-4792563-A Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-20 US disclosed
EP-0266891-A1 Insecticidal ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-05-11 EP disclosed
EP-0227369-A1 Insecticidal alkenes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-07-01 EP disclosed