SCHEMBL20558221

SCHEMBL20558221

C=C(C=O)CCCOC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
TSHR P16473 3/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
HTR1A P08908 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRNA7 P36544 1/20 0.36
ALOX15 P16050 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
HPGD P15428 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
SCHEMBL20558202 0.88 CHRM2 (0.39) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL8988949 0.80 ALDH1A1 (0.48) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL14587474 0.73 LMNA (0.39) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL246628 0.73 LMNA (0.43) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL2746597 0.72 TSHR (0.52) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL2745809 0.72 LMNA (0.52) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL11122144 0.72 SLC22A6 (0.30)
SCHEMBL13176135 0.72 TSHR (0.41) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL27645090 0.72 LMNA (0.48) LMNATSHRCHRM2CHRM4CHRM5
SCHEMBL2136691 0.70 TSHR (0.50) LMNATSHRCHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018205948-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-11-15 WO disclosed