SCHEMBL2880890

SCHEMBL2880890

C=CC(=O)OCCNC(C)(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.50
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.40
TSHR P16473 6/20 0.39
HPGD P15428 1/20 0.39
HIF1A Q16665 3/20 0.39
TP53 P04637 2/20 0.39
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
DPP4 P27487 1/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR1A P08908 1/20 0.36
CYP2D6 P10635 1/20 0.36
SCN1A P35498 1/20 0.36

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 SCHEMBL718579 0.99 THRB (0.49) THRBALDH1A1KDM4ESMN1; SMN2GAA
Bromide SCHEMBL3857939 0.99 THRB (0.49) THRBALDH1A1KDM4ESMN1; SMN2GAA
Iodide SCHEMBL3861985 0.99 THRB (0.49) THRBALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL3861968 0.91 THRB (0.43) THRBALDH1A1KDM4ESMN1; SMN2GAA
Hydrochloric Acid SCHEMBL9794903 0.85 THRB (0.53) THRBALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL4401452 0.80 HTT (0.41) THRBALDH1A1KDM4ESMN1; SMN2TSHR
Bromide SCHEMBL3858373 0.79 HTT (0.40) THRBALDH1A1KDM4ESMN1; SMN2TSHR
Iodide SCHEMBL3858235 0.79 HTT (0.40) THRBALDH1A1KDM4ESMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL166561 0.79 HTT (0.40) THRBALDH1A1KDM4ESMN1; SMN2TSHR
Acrylic Acid SCHEMBL2354873 0.78 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2GAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2010513648-A 2010-04-30 JP claimed
EP-1937733-B1 PROCESS FOR PREPARING AN AQUEOUS DISPERSION OF A QUATERNARY AMMONIUM SALT CONTAINING VINYL COPOLYMER BOSTIK INC (US) 2009-12-30 EP claimed
EP-2113000-A2 COPOLYMERS BASED ON METHACRYLATE UNITS, PREPARATION METHOD THEREOF AND USE OF SAME ARKEMA FRANCE (FR) 2009-11-04 EP claimed
WO-2008078055-A9 COPOLYMERS BASED ON METHACRYLATE UNITS, PREPARATION METHOD THEREOF AND USE OF SAME ARKEMA FRANCE (FR) 2009-09-17 WO claimed
WO-2008078055-A2 COPOLYMERS BASED ON METHACRYLATE UNITS, PREPARATION METHOD THEREOF AND USE OF SAME ARKEMA FRANCE (FR) 2008-07-03 WO claimed
JP-54113954-A None JP disclosed
EP-2217631-A2 PROCESS FOR THE PREPARATION OF A FILM OR A COATING ON A SUBSTRATE WITH AN AQUEOUS DISPERSION OF POLYMER PARTICLES AND THE RESULTING FILMS AND COATINGS ARKEMA FRANCE (FR) 2010-08-18 EP disclosed
EP-2113000-A2 COPOLYMERS BASED ON METHACRYLATE UNITS, PREPARATION METHOD THEREOF AND USE OF SAME ARKEMA FRANCE (FR) 2009-11-04 EP disclosed
WO-2008078055-A9 COPOLYMERS BASED ON METHACRYLATE UNITS, PREPARATION METHOD THEREOF AND USE OF SAME ARKEMA FRANCE (FR) 2009-09-17 WO disclosed
WO-2009071699-A2 PROCESS FOR THE PREPARATION OF A FILM OR A COATING ON A SUBSTRATE WITH AN AQUEOUS DISPERSION OF POLYMER PARTICLES AND THE RESULTING FILMS AND COATINGS ARKEMA FRANCE (FR) 2009-06-11 WO disclosed
WO-2008078055-A2 COPOLYMERS BASED ON METHACRYLATE UNITS, PREPARATION METHOD THEREOF AND USE OF SAME ARKEMA FRANCE (FR) 2008-07-03 WO disclosed
EP-1913044-A2 METHOD FOR PREPARING A POLYMERIC MATERIAL INCLUDING A MULTIBLOCK COPOLYMER PREPARED BY CONTROLLED FREE-RADICAL POLYMERISATION Arkema France (FR) 2008-04-23 EP disclosed
WO-2007017614-A2 METHOD FOR PREPARING A POLYMERIC MATERIAL INCLUDING A MULTIBLOCK COPOLYMER PREPARED BY CONTROLLED FREE-RADICAL POLYMERISATION ARKEMA FRANCE (FR) 2007-02-15 WO disclosed
JP-S54113954-A ORGANIC SLUDGE DEHYDRATION ASSISTANT KURITA WATER IND LTD 1979-09-05 JP disclosed