SCHEMBL1331722

SCHEMBL1331722

CC(CNC(N)=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.44
BCAT2 O15382 1/20 0.42
APAF1 O14727 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP1A2 P05177 1/20 0.39
FOLH1 Q04609 2/20 0.39
NAALAD2 Q9Y3Q0 2/20 0.39
ENPEP Q07075 2/20 0.39
LTA4H P09960 1/20 0.35
SLC7A5 Q01650 1/20 0.34
BLM P54132 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
SCHEMBL10055164 1.00 GABRR1 (0.44) GABRR1BCAT2APAF1CYP2D6CYP2C19
SCHEMBL10056838 1.00 GABRR1 (0.44) GABRR1BCAT2APAF1CYP2D6CYP2C19
Beta-Alanine SCHEMBL3708251 0.84 GABRR1 (0.41) GABRR1BCAT2APAF1CYP2D6CYP1A2
SCHEMBL16157279 0.83 BCAT2 (0.39) GABRR1BCAT2CYP2D6CYP2C19CYP1A2
SCHEMBL24241859 0.82 GABRR1 (0.41) GABRR1APAF1CYP2D6CYP2C19CYP1A2
SCHEMBL11808826 0.82 GABRR1 (0.41) GABRR1APAF1CYP2D6CYP2C19CYP1A2
SCHEMBL18872073 0.82 GABRR1 (0.41) GABRR1APAF1CYP2D6CYP2C19CYP1A2
SCHEMBL5499655 0.82 BCAT2 (0.40) GABRR1BCAT2CYP2D6CYP2C19
SCHEMBL18125961 0.80 CYP2D6 (0.64) GABRR1APAF1CYP2D6CYP2C19CYP1A2
SCHEMBL15044013 0.80 CYP2D6 (0.64) GABRR1APAF1CYP2D6CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118425362-B Organic acid metabolism marker for distinguishing wild and cultivated four-big domestic fish and application thereof 中国水产科学研究院长江水产研究所 2024-12-10 CN claimed
CN-118425362-A Organic acid metabolism marker for distinguishing wild and cultivated four-big domestic fish and application thereof 中国水产科学研究院长江水产研究所 2024-08-02 CN claimed
CN-116718697-A Metabolite screening method for prolonging QTc interval of drug-resistant pulmonary tuberculosis and application 首都医科大学附属北京胸科医院 2023-09-08 CN claimed
US-20230204605-A1 COMPOSITIONS AND METHODS FOR DIAGNOSING AND TREATING CHRONIC KIDNEY DISEASE SOCIETE DES PRODUITS NESTLE S.A. (CH) 2023-06-29 US claimed
CN-111060607-A Metabolite combination for pre-operation early warning of transplanted kidney delayed recovery after cardiac death and screening method thereof 浙江大学 2020-04-24 CN claimed
CN-110716039-A Application of metabolic marker in early diagnosis of AD and prediction of curative effect of sharpleaf galangal fruit on AD 郑州大学第一附属医院 2020-01-21 CN claimed
WO-2017189528-A1 CORROSION INHIBITOR COMPOSITIONS AND METHODS OF USING SAME Ecolab USA, Inc. (US) 2017-11-02 WO claimed
US-20170306504-A1 CORROSION INHIBITOR COMPOSITIONS AND METHODS OF USING SAME CHAMPIONX LLC 2017-10-26 US claimed
EP-1374911-B1 AGENTS FOR MEASURING PYRIMIDINE METABOLIZABILITY OTSUKA PHARMA CO LTD (JP) 2013-10-16 EP claimed
CN-101232905-B Oral preparation useful in measuring capacity to metabolize pyridine OTSUKA PHARMA CO LTD 2013-01-09 CN claimed
EP-1579015-A2 METHOD FOR PCR CLEANUP AND OLIGONUCLEOTIDE REMOVAL Applera Corporation (US) 2005-09-28 EP claimed
EP-1579015-A3 METHOD FOR PCR CLEANUP AND OLIGONUCLEOTIDE REMOVAL Applera Corporation (US) 2005-08-25 EP claimed
US-20040234452-A1 Composition for determining pyrimidine metabolizing activity OTSUKA PHARMACEUTICAL CO., LTD. 2004-11-25 US claimed
US-6797256-B2 Composition for determining pyrimidine metabolizing activity OTSUKA PHARMACEUTICAL CO. LTD. (JP) 2004-09-28 US claimed
US-20040023220-A1 Integrated method for PCR cleanup and oligonucleotide removal APPLIED BIOSYSTEMS, LLC 2004-02-05 US claimed
WO-2004009851-A2 METHOD FOR PCR CLEANUP AND OLIGONUCLEOTIDE REMOVAL APPLERA CORPORATION (US) 2004-01-29 WO claimed
EP-1374911-A1 AGENTS FOR MEASURING PYRIMIDINE METABOLIZABILITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2004-01-02 EP claimed
US-20030068272-A1 Preparation for determining pyrimidine metabolic capacity OTSUKA PHARMACEUTICAL CO., LTD. 2003-04-10 US claimed
US-20020132283-A1 Composition for determining pyrimidine metabolizing activity OTSUKA PHARMACEUTICAL CO. LTD. (JP) 2002-09-19 US claimed
WO-2001077366-A1 POSITIVE SELECTION METHOD, COMPOUNDS, HOST CELLS AND USES THEREOF CUBIST PHARMACEUTICALS, INC. (US) 2001-10-18 WO claimed