SCHEMBL4777726

SCHEMBL4777726

OC(O)(O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
CHRM2 P08172 5/20 0.33
CHRM1 P11229 5/20 0.33
CYP2D6 P10635 4/20 0.33
KCNH2 Q12809 4/20 0.33
CHRM3 P20309 3/20 0.33
TSHR P16473 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
HRH1 P35367 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL1287904 0.79 KEAP1 (0.33) KEAP1NFE2L2TSHRCES2CES1
SCHEMBL701478 0.79 KEAP1 (0.33) KEAP1NFE2L2TSHRCES2CES1
SCHEMBL7592777 0.79 KEAP1 (0.33) KEAP1NFE2L2TSHRCES2CES1
SCHEMBL237297 0.79 KEAP1 (0.33) KEAP1NFE2L2TSHRCES2CES1
SCHEMBL5576275 0.74 TSHR (0.35) KEAP1NFE2L2TSHRALDH1A1
SCHEMBL66869 0.74 KEAP1 (0.45) KEAP1NFE2L2CHRM3TSHRCES2
SCHEMBL8846296 0.74 KEAP1 (0.45) KEAP1NFE2L2CHRM2CHRM1CHRM3
SCHEMBL15151738 0.73 EPHX1 (0.35) KEAP1NFE2L2CHRM2CHRM1CYP2D6
SCHEMBL8502985 0.73 LMNA (0.38) KEAP1NFE2L2CHRM2CHRM1CYP2D6
SCHEMBL17313664 0.73 KEAP1 (0.31) KEAP1NFE2L2TSHRCES2CES1

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
CN-106661246-A POLYESTER-BASED THERMAL SHRINKAGE FILM SK化学株式会社 2017-05-10 CN disclosed
WO-2008015696-A2 PROCESS FOR PREPARING CICLESONIDE CADILA HEALTHCARE LIMITED (IN) 2008-02-07 WO disclosed