SCHEMBL4553368

SCHEMBL4553368

C=C(C)C(=O)OCC[N+](C)(C)CCC(O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
TSHR P16473 4/20 0.42
CHRM5 P08912 5/20 0.39
CHRM1 P11229 5/20 0.39
CHRM3 P20309 5/20 0.39
CHRM2 P08172 4/20 0.36
CHRM4 P08173 4/20 0.36
CHRNB2 P17787 3/20 0.36
CHRNA7 P36544 3/20 0.36
CHRNA4 P43681 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTR1A P08908 2/20 0.36
PGR P06401 1/20 0.36
TBXA2R P21731 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36
CHRNA9 Q9UGM1 1/20 0.36
GALR3 O60755 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL10300016 0.88 THRB (0.53) THRBTSHRCHRM5CHRM1CHRM3
Bromide SCHEMBL725843 0.86 THRB (0.52) THRBTSHRCHRM5CHRM1CHRM3
SCHEMBL1615537 0.83 THRB (0.38) THRBTSHRCHRM5CHRM1CHRM3
SCHEMBL4790127 0.81 THRB (0.47) THRBTSHRCHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL1011904 0.81 THRB (0.47) THRBTSHRCHRM5CHRM1CHRM3
SCHEMBL23530292 0.81 TSHR (0.55) THRBTSHRCHRM5CHRM1CHRM3
SCHEMBL16600167 0.81 CHRM5 (0.52) THRBTSHRCHRM5CHRM1CHRM3
SCHEMBL14438897 0.81 THRB (0.47) THRBTSHRCHRM5CHRM1CHRM3
SCHEMBL23375334 0.81 TSHR (0.55) THRBTSHRCHRM5CHRM1CHRM3
Hydrochloric Acid SCHEMBL1548124 0.81 CHRM5 (0.52) THRBTSHRCHRM5CHRM1CHRM3

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
EP-1633471-B2 PERCARBOXYLIC ACID-BASED POLYELECTROLYTE CAPSULE SYSTEM HAVING A LONG SHELF LIFE HENKEL AG & CO KGAA (DE) 2017-10-18 EP claimed
EP-1633471-B1 PERCARBOXYLIC ACID-BASED POLYELECTROLYTE CAPSULE SYSTEM HAVING A LONG SHELF LIFE HENKEL AG & CO KGAA (DE) 2009-03-25 EP claimed