SCHEMBL61208

SCHEMBL61208

CCCNC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
MEN1 O00255 1/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.56
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
CA12 O43570 4/20 0.49
CA1 P00915 4/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
EPHX1 P07099 2/20 0.49
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GFER P55789 1/20 0.43
CTSK P43235 2/20 0.42
CTSS P25774 1/20 0.42

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 SCHEMBL27646037 0.98 TDP1 (0.58) TDP1MEN1GAAKMT2AMAOA
Hydrochloric Acid SCHEMBL28763000 0.98 TDP1 (0.58) TDP1MEN1GAAKMT2AMAOA
Ammonia Solution, Strong SCHEMBL6807094 0.98 TDP1 (0.58) TDP1MEN1GAAKMT2AMAOA
Bromide SCHEMBL28241790 0.98 TDP1 (0.58) TDP1MEN1GAAKMT2AMAOA
Hydrochloric Acid SCHEMBL5973455 0.96 TDP1 (0.56) TDP1MEN1GAAKMT2AMAOA
SCHEMBL7549979 0.92 TDP1 (0.58) TDP1MEN1GAAKMT2AMAOA
SCHEMBL27926441 0.90 TDP1 (0.51) TDP1MEN1GAAKMT2AMAOA
SCHEMBL7242914 0.90 TDP1 (0.51) TDP1MEN1GAAKMT2AMAOA
SCHEMBL15244383 0.89 TDP1 (0.50) TDP1MEN1GAAKMT2AMAOA
SCHEMBL3341020 0.88 TDP1 (0.67) TDP1MEN1GAAKMT2AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109879780-B Preparation method of (2-methylamine-ethyl) -tert-butyl carbamate 上海卡洛化学有限公司 2021-06-29 CN claimed
CN-110981803-A Anti-tumor compound and synthesis method and application thereof 北京大学 2020-04-10 CN claimed
CN-102216279-B Phenyl pyrimidone compounds, pharmaceutical compositions, preparation methods and uses thereof TOPHARMAN SHANGHAI Co.,Ltd. (CN) 2014-10-29 CN claimed
CN-103201267-A AMPK-activating heterocyclic compounds and methods of use thereof RIGEL PHARMACEUTICALS INC 2013-07-10 CN claimed
CN-101910131-A Carboxamide, sulfonamide and amine compounds for metabolic disorders RIGEL PHARMACEUTICALS INC 2010-12-08 CN claimed
CN-101747282-A Phenyl pyrimidone compounds, pharmaceutical compositions and preparation methods and uses thereof TOPHARMAN SHANGHAI CO LTD 2010-06-23 CN claimed
CN-101559053-A 5-membered heterocycle derivatives, production thereof and use thereof as medicaments SOD CONSEILS RECH APPLIC (FR) 2009-10-21 CN claimed
CN-101311174-A Vitamin B6 derivates and pharmaceutical use thereof FANG WU (CN) 2008-11-26 CN claimed
CN-100425600-C Benzothiazole-and benzo \\58743, oxazole-4, 7-dione derivatives and their use as CDC25 phosphatase inhibitors SOD CONSEILS RECH APPLIC (FR) 2008-10-15 CN claimed
CN-1257174-C Producing process for N-[3-(tert-butyl oxycarbonyl amino) propy1]-2-amino ethylphosphonic acid diallcylester WYETH CORP (US) 2006-05-24 CN claimed
JP-2004502669-A 2004-01-29 JP claimed
CN-1468226-A Biphenyl derivatives and their use as ppar-gamma receptor activators �������о�����չ˽�����޹�˾ 2004-01-14 CN claimed
EP-1353898-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2003-10-22 EP claimed
CN-1345308-A Acetylenic alpha-amino acid based sulfonamide hydroxamic acid TACE inhibitors AMERICAN CYANAMID CO (US) 2002-04-17 CN claimed
WO-2002002512-A2 COMPOUNDS TO TREAT ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-01-10 WO claimed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP claimed
CN-1265664-A Preparation method of [ 2- ((8,9) -dioxo-2, 6-diazabicyclo [5.2.0] -non-1 (7) -en-2-yl ] ethyl phosphonic acid AMERICAN HOME PROD (US) 2000-09-06 CN claimed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 WO claimed
US-5602161-A ELASTASE INHIBITORS; PREVENTING AND TREATING EMPHYSEMA, ENDOTOXIN-INDUCED LUNG DISORDERS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1997-02-11 US claimed
EP-0676396-A1 Tetrazolylphenyl pivalate derivatives and medicinal composition containing the same as effective component Wakamoto Pharmaceutical Co., Ltd. (JP) 1995-10-11 EP claimed