SCHEMBL28205306

SCHEMBL28205306

OC1CCC(C(O)(c2ccccc2)C2CCCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.50
▸ NFE2L2 Q16236 1/20 0.50
▸ CYP2D6 P10635 5/20 0.44
▸ CHRM2 P08172 5/20 0.44
▸ CHRM1 P11229 5/20 0.44
▸ KCNH2 Q12809 4/20 0.44
▸ CHRM3 P20309 3/20 0.44
▸ CHRM4 P08173 2/20 0.44
▸ CHRM5 P08912 2/20 0.44
▸ HRH1 P35367 2/20 0.44
▸ GRIN2D O15399 1/20 0.44
▸ GRIN3B O60391 1/20 0.44
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2A Q12879 1/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ GRIN2C Q14957 1/20 0.44
▸ GRIN3A Q8TCU5 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NFKB1 P19838 1/20 0.44

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
SCHEMBL894919 0.84 MEN1 (0.50) KEAP1NFE2L2CYP2D6CHRM2CHRM1
SCHEMBL7319884 0.81 CYP2D6 (0.64) KEAP1NFE2L2CYP2D6CHRM2CHRM1
Hydrochloric Acid SCHEMBL7321768 0.79 CYP2D6 (0.62) KEAP1NFE2L2CYP2D6CHRM2CHRM1
SCHEMBL4886344 0.79 KEAP1 (0.50) KEAP1NFE2L2CYP2D6CHRM2CHRM1
SCHEMBL2238914 0.75 CYP2D6 (0.66) KEAP1NFE2L2CYP2D6CHRM2CHRM1
SCHEMBL28257085 0.75 CYP2D6 (0.66) KEAP1NFE2L2CYP2D6CHRM2CHRM1
SCHEMBL7323536 0.73 CHRM3 (0.51) KEAP1NFE2L2CYP2D6CHRM2CHRM1
SCHEMBL13131231 0.73 KEAP1 (0.56) KEAP1NFE2L2CYP2D6CHRM2CHRM1
SCHEMBL18415154 0.73 KEAP1 (0.56) KEAP1NFE2L2CYP2D6CHRM2CHRM1
SCHEMBL9906166 0.73 KEAP1 (0.56) KEAP1NFE2L2CYP2D6CHRM2CHRM1

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
CN-108026248-A It is used to prepare the thermosetting epoxy resin composition of outdoor product and thus obtained product 亨斯迈先进材料许可(瑞士)有限公司 2018-05-11 — — CN claimed
CN-108026248-A It is used to prepare the thermosetting epoxy resin composition of outdoor product and thus obtained product 亨斯迈先进材料许可(瑞士)有限公司 2018-05-11 — — CN disclosed
CN-107743501-A Thermosetting epoxy resin composition for the preparation of outdoor articles and articles obtained therefrom 亨斯迈先进材料特许(瑞士)有限公司 2018-02-27 — — CN disclosed
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