SCHEMBL5085940

SCHEMBL5085940

COC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.64
EYA2 O00167 1/20 0.64
APP P05067 1/20 0.64
ACE P12821 1/20 0.64
TSHR P16473 5/20 0.61
BLM P54132 2/20 0.61
PMP22 Q01453 2/20 0.61
KDM4E B2RXH2 1/20 0.61
LMNA P02545 1/20 0.61
CHRM2 P08172 1/20 0.61
ADRA2A P08913 1/20 0.61
ALOX15 P16050 1/20 0.61
DRD1 P21728 1/20 0.61
SLC6A2 P23975 1/20 0.61
SLC6A4 P31645 1/20 0.61
CYP2C19 P33261 1/20 0.61
ADRA1A P35348 1/20 0.61
DRD3 P35462 1/20 0.61
SLC6A3 Q01959 1/20 0.61
HRH3 Q9Y5N1 1/20 0.61

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
SCHEMBL5852270 1.00 TDP1 (0.64) TDP1EYA2APPACETSHR
SCHEMBL5852235 1.00 TDP1 (0.64) TDP1EYA2APPACETSHR
Edetic Acid SCHEMBL3810362 1.00 TDP1 (0.64) TDP1EYA2APPACETSHR
SCHEMBL13129733 1.00 TDP1 (0.64) TDP1EYA2APPACETSHR
SCHEMBL14385464 0.98 TSHR (0.65) TDP1EYA2APPACETSHR
Ammonia Solution, Strong SCHEMBL10726609 0.98 TDP1 (0.61) TDP1EYA2APPACETSHR
SCHEMBL12640537 0.98 TSHR (0.65) TDP1EYA2APPACETSHR
SCHEMBL18843669 0.98 TSHR (0.65) TDP1EYA2APPACETSHR
SCHEMBL9001861 0.98 TSHR (0.65) TDP1EYA2APPACETSHR
SCHEMBL13398765 0.98 TSHR (0.65) TDP1EYA2APPACETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115448681-A Iron aluminate cement for repairing and preparation method thereof 北京工业大学 2022-12-09 CN claimed
CN-104740655-A Nuclear magnetic resonance imaging contrast agent with high hydration constant and preparation method of nuclear magnetic resonance imaging contrast agent UNIV EAST CHINA SCIENCE & TECH 2015-07-01 CN claimed
CN-117917989-A Use of a reversible metal electrodeposited electrolyte with pH-adjustable, dynamic glass element with high opacity and excellent rest stability, and electrolyte useful therefor 代表内华达大学雷诺分校的内华达高等教育系统董事会 2024-04-23 CN disclosed
US-20230149595-A1 IMPLANTABLE OBJECTS, GUIDING DEVICES, AND METHODS OF USE THEREOF REVBIO INC (US) 2023-05-18 US disclosed
CN-115448681-A Iron aluminate cement for repairing and preparation method thereof 北京工业大学 2022-12-09 CN disclosed
CN-110372617-B Medicinal composition, prothioconazole crystal form, preparation method and application thereof 北京颖泰嘉和生物科技股份有限公司 2021-03-12 CN disclosed
CN-108697827-A Antimicrobial solutions with enhancing stability 得克萨斯州大学系统董事会 2018-10-23 CN disclosed
CN-104740655-B One kind has NMR contrast agent of hyperhydrated constant and preparation method thereof 华东理工大学 2018-01-19 CN disclosed
US-20170261477-A1 BORATE DETECTOR COMPOSITION AND ASSAY SOLUTION Water Lens, LLC 2017-09-14 US disclosed
CN-106029104-A Inhibitors of metallo-beta-lactamase (MBL) comprising a zinc chelating moiety 奥斯陆大学 2016-10-12 CN disclosed
CN-104740655-A Nuclear magnetic resonance imaging contrast agent with high hydration constant and preparation method of nuclear magnetic resonance imaging contrast agent UNIV EAST CHINA SCIENCE & TECH 2015-07-01 CN disclosed
US-5618684-A CALCIUM ACTIVATED TRANSGLUTAMINASE ACTS ON SUBSTRATE TO GENERATE AMMONIA; CORRELATING AMOUNT OF AMMONIA GENERATED WITH AN AMOUNT OF CALCIUM ORIENTAL YEAST CO., LTD. (JP) 1997-04-08 US disclosed
EP-0729648-A4 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LTD (AU) 1997-01-02 EP disclosed
WO-1996035239-A1 HIGH ENERGY DENSITY VANADIUM ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND ALL-VANADIUM REDOX CELLS AND BATTERIES CONTAINING HIGH ENERGY VANADIUM ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1996-11-07 WO disclosed
EP-0729648-A1 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1996-09-04 EP disclosed
EP-0404091-B1 Silver halide photographic materials FUJI PHOTO FILM CO LTD (JP) 1995-08-30 EP disclosed
WO-1995012219-A1 STABILISED ELECTROLYTE SOLUTIONS, METHODS OF PREPARATION THEREOF AND REDOX CELLS AND BATTERIES CONTAINING STABILISED ELECTROLYTE SOLUTIONS UNISEARCH LIMITED (AU) 1995-05-04 WO disclosed
EP-0555046-A1 Method for determination of calcium ORIENTAL YEAST CO., LTD. (JP) 1993-08-11 EP disclosed
US-5122445-A Light sensitive layers with porous fine powder matting agents; few pinholes, high contrast FUJI PHOTO FILM CO., LTD. (JP) 1992-06-16 US disclosed
EP-0404091-A2 Silver halide photographic materials FUJI PHOTO FILM CO., LTD. (JP) 1990-12-27 EP disclosed