SCHEMBL9682549

SCHEMBL9682549

CC(C)(COCc1cccc(Oc2ccccc2)n1)COS(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SDHB P21912 1/20 0.33
HTT P42858 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 4/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP4A11 Q02928 2/20 0.32
CYP4F2 P78329 1/20 0.32
STAT3 P40763 1/20 0.31
MMP1 P03956 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
SCHEMBL9682509 0.83 KCNH2 (0.41) KCNH2MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL9682557 0.82 KCNH2 (0.40) KCNH2MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL9683201 0.82 KCNH2 (0.40) KCNH2MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL9517359 0.82 KCNH2 (0.40) KCNH2SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL9519808 0.82 KCNH2 (0.40) KCNH2MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL6856754 0.81 KCNH2 (0.44) KCNH2MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL10359460 0.78 KCNH2 (0.39) KCNH2MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL9681461 0.78 KCNH2 (0.41) KCNH2MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL10653546 0.77 FFAR1 (0.46) ATMLMNAMMP1PGR
SCHEMBL27690318 0.76 KCNH2 (0.53) KCNH2MEN1CYP1A2CYP2C9CYP2C19

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