SCHEMBL4632793

SCHEMBL4632793

C=CC(=O)OC(C[N+](C)(C)C)OC(=O)C=C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.41
CHRM2 P08172 2/20 0.41
CHRM4 P08173 2/20 0.41
CHRM1 P11229 2/20 0.41
TBXA2R P21731 1/20 0.41
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CHRM5 P08912 1/20 0.39
CHRM3 P20309 1/20 0.39
CYP2C9 P11712 1/20 0.39
GALR3 O60755 1/20 0.39
BLM P54132 1/20 0.39
HPGD P15428 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
HRH1 P35367 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TP53 P04637 2/20 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
SCHEMBL28151162 0.84 SMPD1 (0.34) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL2946080 0.82 TSHR (0.59) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL4899694 0.80 TSHR (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
Hydrochloric Acid SCHEMBL1238012 0.80 MAPT (0.60) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL8191490 0.80 TSHR (0.38) TSHRCHRM2CHRM4CHRM1TBXA2R
Bromide SCHEMBL28073958 0.80 TSHR (0.57) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28146685 0.79 TSHR (0.30) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL4550499 0.79 TSHR (0.37) TSHRCHRM2CHRM4CHRM1TBXA2R
Iodide SCHEMBL29102413 0.77 MEN1 (0.40) TSHRCHRM2CHRM4CHRM1TBXA2R
Hydrochloric Acid SCHEMBL29102422 0.77 LMNA (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2834705-B1 PARTICLES FOR ELECTROPHORETIC DISPLAYS COMPRISING A CORE AND A RANDOM-COPOLYMER COATING MERCK PATENT GMBH (DE) 2018-12-05 EP claimed
EP-1169405-B1 QUATERNARY NITROGEN CONTAINING AMPHOTERIC WATER SOLUBLE POLYMERS AND THEIR USE IN DRILLING FLUIDS AKZO NOBEL NV (NL) 2008-02-27 EP claimed
EP-0694812-B1 Process of recovering silver from photographic solutions EASTMAN KODAK CO (US) 1999-12-29 EP claimed
EP-0191980-B1 POLYMERS FOR USE AS FILTRATION CONTROL AIDS IN DRILLING MUDS CALGON CORPORATION (US) 1990-05-09 EP claimed
EP-0161773-B1 SURFACTANT SYSTEM FOR EMULSION POLYMERS CALGON CORPORATION (US) 1988-11-09 EP claimed