SCHEMBL2946080

SCHEMBL2946080

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.59
CHRM2 P08172 2/20 0.59
CHRM4 P08173 2/20 0.59
CHRM1 P11229 2/20 0.59
TBXA2R P21731 1/20 0.59
LMNA P02545 3/20 0.57
MAPT P10636 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CHRM5 P08912 1/20 0.57
CHRM3 P20309 1/20 0.57
CYP2C9 P11712 1/20 0.57
GALR3 O60755 1/20 0.57
BLM P54132 1/20 0.57
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
HPGD P15428 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
HRH1 P35367 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
Hydrochloric Acid SCHEMBL1238012 0.98 MAPT (0.60) TSHRCHRM2CHRM4CHRM1TBXA2R
Bromide SCHEMBL28073958 0.98 TSHR (0.57) TSHRCHRM2CHRM4CHRM1TBXA2R
Sulfuric Acid SCHEMBL28170181 0.91 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28038694 0.88 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL1406196 0.87 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL30803818 0.82 TSHR (0.47) TSHRCHRM2CHRM4CHRM1TBXA2R
Hydrochloric Acid SCHEMBL2988641 0.82 MAPT (0.42) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL4632793 0.82 TSHR (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL28332007 0.81 TSHR (0.41) TSHRCHRM2CHRM4CHRM1TBXA2R
Hydrochloric Acid SCHEMBL1667311 0.79 TSHR (0.40) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203150-B1 PERSONAL CARE COMPOSITIONS COMPRISING UNDECYL SULFATES PROCTER & GAMBLE (US) 2016-06-01 EP claimed
US-7754455-B2 Biocatalytic manufacturing of (meth) acrylylcholine or 2-(N, N-dimethylamino) ethyl (meth) acrylate CIBA SPECIALTY CHEMICALS WATER TREATMENTS LTD. (GB) 2010-07-13 US claimed
EP-2046847-A2 POLYMERIC VISCOSITY MODIFIERS The Procter and Gamble Company (US) 2009-04-15 EP claimed
US-20080033129-A1 Polymeric viscosity modifiers THE PROCTER & GAMBLE COMPANY 2008-02-07 US claimed
WO-2008015653-A2 POLYMERIC VISCOSITY MODIFIERS THE PROCTER & GAMBLE COMPANY (US) 2008-02-07 WO claimed
CN-1934262-A Biocatalytic manufacture of (meth) acrylylcholine or 2- (N, N-dimethylamino) ethyl (meth) acrylate CIBA SPEC CHEM WATER TREAT LTD (GB) 2007-03-21 CN claimed
CN-104768527-A External preparation for skin FUJIFILM CORP 2015-07-08 CN disclosed
CN-1934262-B Biocatalytic manufacture of (meth) acrylylcholine or 2- (N, N-dimethylamino) ethyl (meth) acrylate CIBA SPEC CHEM WATER TREAT LTD 2012-01-11 CN disclosed
EP-2046847-A2 POLYMERIC VISCOSITY MODIFIERS The Procter and Gamble Company (US) 2009-04-15 EP disclosed
US-20080033129-A1 Polymeric viscosity modifiers THE PROCTER & GAMBLE COMPANY 2008-02-07 US disclosed
WO-2008015653-A2 POLYMERIC VISCOSITY MODIFIERS THE PROCTER & GAMBLE COMPANY (US) 2008-02-07 WO disclosed
CN-1934262-A Biocatalytic manufacture of (meth) acrylylcholine or 2- (N, N-dimethylamino) ethyl (meth) acrylate CIBA SPEC CHEM WATER TREAT LTD (GB) 2007-03-21 CN disclosed