SCHEMBL181440

SCHEMBL181440

CCCC(=O)OCCOC(=O)CC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
NAAA Q02083 1/20 0.58
DGKA P23743 1/20 0.58
DNM1 Q05193 1/20 0.47
ADRA2A P08913 1/20 0.44
ADRA1A P35348 1/20 0.44
GAA P10253 1/20 0.44
BLM P54132 2/20 0.43
MAPT P10636 1/20 0.43
HTR2C P28335 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 1/20 0.38
PAM P19021 2/20 0.38
FFAR3 O14843 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL181703 0.93 ALDH1A1 (0.52) ALDH1A1NAAADGKADNM1ADRA2A
SCHEMBL420321 0.93 ALDH1A1 (0.52) ALDH1A1NAAADGKADNM1ADRA2A
Ethylene Glycol Dibutanoate SCHEMBL104207 0.92 DGKA (0.65) ALDH1A1NAAADGKADNM1ADRA2A
SCHEMBL15636150 0.90 DGKA (0.62) ALDH1A1NAAADGKADNM1ADRA2A
SCHEMBL15635454 0.90 NAAA (0.56) ALDH1A1NAAADGKADNM1ADRA2A
Propene SCHEMBL181494 0.89 NAAA (0.48) ALDH1A1NAAADGKADNM1ADRA2A
SCHEMBL8424652 0.87 ALDH1A1 (0.62) ALDH1A1NAAADGKADNM1GAA
SCHEMBL50301 0.87 NAAA (0.64) ALDH1A1NAAADGKADNM1ADRA2A
SCHEMBL29048024 0.86 DGKA (0.72) ALDH1A1NAAADGKADNM1MAPT
SCHEMBL13465983 0.85 DGKA (0.58) ALDH1A1NAAADGKADNM1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004046153-A1 PRODRUG ESTERS OF CEFTRIAXONE RANBAXY LABORATORIES LIMITED (IN) 2004-06-03 WO claimed
CN-115461412-B Organopolysiloxane-containing composition, method for producing same, coating agent, and coated article 信越化学工业株式会社 2024-05-31 CN disclosed
US-20230137990-A1 COMPOSITION CONTAINING ORGANOPOLYSILOXANE, PRODUCTION METHOD THEREFOR, COATING MATERIAL, AND COATED ARTICLE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-04 US disclosed
US-11602946-B2 Printed matter exhibiting metallic gloss MIMAKI ENGINEERING CO., LTD. (JP) 2023-03-14 US disclosed
EP-4141049-A1 COMPOSITION CONTAINING ORGANOPOLYSILOXANE, PRODUCTION METHOD THEREFOR, COATING MATERIAL, AND COATED ARTICLE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-03-01 EP disclosed
CN-115461412-A Organopolysiloxane-containing composition, method for producing same, coating agent, and coated article 信越化学工业株式会社 2022-12-09 CN disclosed
EP-3279279-B1 MAGENTA INK FOR INK-JET RECORDING TOYO INK SC HOLDINGS CO LTD (JP) 2022-07-06 EP disclosed
US-20220048306-A1 PRINTED MATTER EXHIBITING METALLIC GLOSS MIMAKI ENGINEERING CO., LTD. (JP) 2022-02-17 US disclosed
US-11203219-B2 Manufacturing method for printed matter exhibiting metallic gloss, printed matter exhibiting metallic gloss, and inkjet printer MIMAKI ENGINEERING CO., LTD. (JP) 2021-12-21 US disclosed
US-11167569-B2 Dye printing method MIMAKI ENGINEERING CO., LTD. (JP) 2021-11-09 US disclosed
EP-1790700-A1 Organic solvent based ink Composition TOYO INK MFG. CO., LTD. (JP) 2007-05-30 EP disclosed
WO-2004046153-A1 PRODRUG ESTERS OF CEFTRIAXONE RANBAXY LABORATORIES LIMITED (IN) 2004-06-03 WO disclosed
US-6100252-A SPECIFIED COMPOUNDS INCLUDING METHYL 2-BUTYL-1-((2'-(2-OXO-3H-1,2,3,5-OXATHIADIAZOL-4-YL)BIPHENYL) METHYL)-BENZIMIDAZOLE-7-CARBOXYLATE; USE TO TREAT CIRCULATORY DISEASES SUCH AS HYPERTENSIVE DISEASES AND HEART DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-08 US disclosed
US-5883111-A STRONG AND LONG-LASTING ACTION BY ORAL ADMINISTRATION; HYPOTENSIVE AGENTS; CARDIOTONIC AGENTS; ALZHEIMER'S DISEASE; TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-16 US disclosed
US-5736555-A HYPOTENSIVE AGENTS; FDA ORANGE BOOK LISTED PATENT FOR AZILSARTAN MEDOXOMIL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-07 US disclosed
US-5583141-A ADMINISTERING AS THERAPEUTIC AGENTS OF CIRCULATORY DISEASES; AZILSARTAN; ANGIOTENSIN II ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-10 US disclosed
US-5354766-A 2-Ethoxy-1-((2'(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl) biphenyl-4-yl)methyl)benzimidazole-7-carboxylic acid; hypotensive agents; CNS activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-10-11 US disclosed
US-5243054-A Hypotensive agents, cardiovascular disorders or nervous system disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-07 US disclosed
EP-0520423-A2 Heterocyclic compounds, their production and use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-30 EP disclosed
EP-0318060-A2 Griseolic acid derivatives, their preparation and their use Sankyo Company Limited (JP) 1989-05-31 EP disclosed