SCHEMBL4624137

SCHEMBL4624137

Cc1ccccc1C(=O)OCC[N+](C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
CHRM2 P08172 2/20 0.51
CHRM4 P08173 2/20 0.51
CHRM1 P11229 2/20 0.51
CHRM3 P20309 2/20 0.51
TSHR P16473 5/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
ADRB3 P13945 2/20 0.47
LMNA P02545 1/20 0.46
ACHE P22303 2/20 0.46
BCHE P06276 1/20 0.46
ADRA2A P08913 1/20 0.44

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 SCHEMBL11338827 0.98 CHRM1 (0.50) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL9753955 0.90 ALDH1A1 (0.63) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL17797782 0.86 TSHR (0.66) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL29521789 0.83 TDP1 (0.67) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL9753956 0.83 ALDH1A1 (0.56) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL3961 0.83 TDP1 (0.67) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL29860709 0.82 TSHR (0.65) ALDH1A1TSHRMEN1KMT2AL3MBTL1
SCHEMBL14984028 0.82 TSHR (0.68) ALDH1A1TSHRMEN1KMT2AL3MBTL1
Hydrogen Sulfide SCHEMBL9879813 0.82 TDP1 (0.65) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL3469 0.82 TDP1 (0.65) ALDH1A1CHRM2CHRM4CHRM1CHRM3

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54138533-A None JP disclosed
EP-0881301-B1 METHOD FOR ASSAYING VITAL SAMPLE ASAHI KASEI PHARMA CORP (JP) 2008-07-02 EP disclosed
EP-1283902-A4 ASSAY FOR DETECTING, MEASURING AND MONITORING THE ACTIVITIES AND CONCENTRATIONS OF PROTEINS AND METHODS OF USE THEREOF US ARMY MEDICAL RES AND MATERI (US) 2007-05-02 EP disclosed
US-20050130251-A1 Reagent for determination of hydrogen peroxide KYOWA MEDEX CO., LTD. (JP) 2005-06-16 US disclosed
US-20050130323-A1 Inhibitor for adhesion of metal hydroxide-containing substance to waste liquor line of automatic analyzer KYOWA MEDEX CO. LTD. (JP) 2005-06-16 US disclosed
EP-1477811-A1 INHIBITOR OF THE ADHESION OF METAL OXIDE-CONTAINING MATERIAL TO WASTE LIQUOR LINE OF AUTOMATIC ANALYZER KYOWA MEDEX CO., LTD. (JP) 2004-11-17 EP disclosed
US-20040152145-A1 Assay for detecting, measuring and monitoring the activities and concentrations of proteins and methods of use thereof FEASTER SHAWN R (US) 2004-08-05 US disclosed
US-6746850-B2 ADDING PLURALITY OF SUBSTRATES TO PLURALITY OF ALIQUOTS OF TEST SAMPLE, MEASURING REACTION RATES BETWEEN PROTEIN AND EACH SUBSTRATE, DETERMINING ACTIVITY OR CONCENTRATION OF PROTEIN IN TEST SAMPLE USING PREDETERMINED SENSITIVITY COEFFICIENT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2004-06-08 US disclosed
EP-1424554-A1 REAGENT FOR DETERMINING HYDROGEN PEROXIDE KYOWA MEDEX CO., LTD. (JP) 2004-06-02 EP disclosed
EP-1283902-A1 ASSAY FOR DETECTING, MEASURING AND MONITORING THE ACTIVITIES AND CONCENTRATIONS OF PROTEINS AND METHODS OF USE THEREOF United States Army Medical Research and Material Command (US) 2003-02-19 EP disclosed
US-4861713-A Novel method for determining cholinesterase activity NITTO BOSEKI CO., LTD. (JP) 1989-08-29 US disclosed
US-4717659-A PROTOCATECHUOYLCHOLINE HALIDE NITTO BOSEKI CO., LTD. (JP) 1988-01-05 US disclosed
US-4582888-A NOVEL ISOCYANURATING CATALYST DAINIPPON INK AND CHEMICALS, INC. (JP) 1986-04-15 US disclosed
US-4565780-A ENZYMATIC HYDROLYSIS OR A P-HYDROXYBENZOYL CHOLINE IN THE PRESENCEOF REDUCED NICOTINAMIDE-ADENINE DINUCLEOTIDE PHOSPHATE; LIVER DISORERS SHINO-TEST LABORATORY CO., LTD. (JP) 1986-01-21 US disclosed
EP-0160980-A2 Novel method for determining cholinesterase activity NITTO BOSEKI CO., LTD. (JP) 1985-11-13 EP disclosed
EP-0159870-A2 Method for the determination of mercapto compounds and reagent for use therein Kyowa Medex Co. Ltd. (JP) 1985-10-30 EP disclosed
EP-0155825-A2 Novel choline derivatives NITTO BOSEKI CO., LTD. (JP) 1985-09-25 EP disclosed
EP-0155559-A1 Process for production of isocyanurate ring-containing polyisocyanate and resin composition for urethane paints comprising said polyisocyanate and acrylic polyol DAINIPPON INK AND CHEMICALS, INC. (JP) 1985-09-25 EP disclosed
US-4271310-A Method of determining cholinesterase activity and choline derivatives for use in the method KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1981-06-02 US disclosed
JP-S54138533-A NOVEL CHOLINE DERIVATIVE KYOWA HAKKO KOGYO CO LTD 1979-10-27 JP disclosed