SCHEMBL1703727

SCHEMBL1703727

C=CC(=O)OCC[N+](C)(C)C.[CH3]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.54
CHRM5 P08912 6/20 0.54
CHRM1 P11229 6/20 0.54
CHRM3 P20309 6/20 0.54
CHRM2 P08172 5/20 0.54
CHRM4 P08173 5/20 0.54
CHRNB2 P17787 4/20 0.54
CHRNA4 P43681 4/20 0.54
ALDH1A1 P00352 3/20 0.54
CHRNA7 P36544 3/20 0.54
TP53 P04637 2/20 0.54
HIF1A Q16665 2/20 0.54
HTR1A P08908 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ADRA2A P08913 1/20 0.54
ADRA1A P35348 1/20 0.54
CYP3A4 P08684 1/20 0.54
PGR P06401 1/20 0.54
TBXA2R P21731 1/20 0.54
CHRNB4 P30926 1/20 0.54

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
SCHEMBL20908 0.98 TSHR (0.56) TSHRCHRM5CHRM1CHRM3CHRM2
SCHEMBL25422044 0.98 TSHR (0.56) TSHRCHRM5CHRM1CHRM3CHRM2
Fluoride Ion SCHEMBL1254299 0.96 TSHR (0.54) TSHRCHRM5CHRM1CHRM3CHRM2
Water SCHEMBL4899700 0.96 TSHR (0.54) TSHRCHRM5CHRM1CHRM3CHRM2
Iodide SCHEMBL1254880 0.96 TSHR (0.54) TSHRCHRM5CHRM1CHRM3CHRM2
Hydrochloric Acid SCHEMBL15738807 0.96 TSHR (0.54) TSHRCHRM5CHRM1CHRM3CHRM2
Bromide SCHEMBL1254964 0.96 GALR3 (0.57) TSHRCHRM5CHRM1CHRM3CHRM2
Hydrochloric Acid SCHEMBL134541 0.96 CHRM5 (0.57) TSHRCHRM5CHRM1CHRM3CHRM2
Hydrochloric Acid SCHEMBL28367647 0.96 TSHR (0.54) TSHRCHRM5CHRM1CHRM3CHRM2
Hydrochloric Acid SCHEMBL22128460 0.94 TSHR (0.52) TSHRCHRM5CHRM1CHRM3CHRM2

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
EP-1966259-B1 COPOLYMER CONTAINING ZWITTERIONIC UNITS AND OTHER UNITS, COMPOSITION COMPRISING THE COPOLYMER, AND USE RHODIA OPERATIONS (FR) 2012-04-18 EP claimed
EP-1967644-A1 Composite microfibre Jacobs University Bremen gGmbH (DE) 2008-09-10 EP claimed
US-7098253-B2 particles of hydrophilic, crosslinked copolymers of N,N'-alkylenebis(meth)acrylamide and a sulfonated N,N'-alkylene bisacrylic amide; chromatographic columns, composite materials, filters; large furface area, ease of manufacture, low material cost, variety of fiber texture, densities 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-08-29 US disclosed