SCHEMBL20558202

SCHEMBL20558202

C=C(C=O)CCOC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
LMNA P02545 2/20 0.39
HTR1A P08908 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRNA7 P36544 1/20 0.39
ALOX15 P16050 1/20 0.36
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34

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
SCHEMBL20558221 0.88 LMNA (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5343975 0.78 ALDH1A1 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8370137 0.77 TSHR (0.54) TSHR
SCHEMBL28243014 0.73
SCHEMBL14619622 0.71 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4443594 0.71 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL21224499 0.71 TSHR (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4540386 0.71
Ethylene SCHEMBL21679941 0.70 TSHR (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3
Formaldehyde SCHEMBL4454552 0.70 TSHR (0.52) CHRM2CHRM4CHRM5CHRM1CHRM3

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