SCHEMBL1135909

SCHEMBL1135909

CC(C)(C)OC(=O)CC(=O)C[C@H](O)CCl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
DGAT1 O75907 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL29223109 1.00 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL3439226 1.00 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL29484787 0.86 CYP2D6 (0.35) CYP2D6
SCHEMBL8437306 0.85 CYP2D6 (0.45) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL6156168 0.85 CYP2D6 (0.45) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1135983 0.84 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL16903727 0.84 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1171593 0.84 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL27923564 0.84 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL6873754 0.82 GABRR1 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110423741-B Carbonyl reductase-coenzyme NADP+Co-immobilized enzyme and preparation and application thereof 浙江工业大学 2021-08-17 CN claimed
CN-107058251-B Recombinant carbonyl reductase mutant, gene, vector, engineering bacterium and application thereof 浙江工业大学 2020-10-09 CN claimed
EP-1963516-B1 METHOD FOR THE ENANTIOSELECTIVE ENZYMATIC REDUCTION OF HYDROXYKETO COMPOUNDS IEP GMBH (DE) 2011-02-23 EP claimed
EP-1152054-B1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME KANEKA CORP (JP) 2005-03-23 EP claimed
CN-117904066-A Recombinant carbonyl reductase mutant and application thereof in catalytic synthesis of chiral alcohol 浙江工业大学 2024-04-19 CN disclosed
US-11875298-B2 Sensor for NADP (H) and development of alcohol dehydrogenases FORSCHUNGSZENTRUM JULICH GMBH (DE) 2024-01-16 US disclosed
CN-117089533-A Recombinant carbonyl reductase, mutant, coding gene and application thereof 浙江工业大学 2023-11-21 CN disclosed
US-20230297924-A9 SENSOR FOR NADP (H) AND DEVELOPMENT OF ALCOHOL DEHYDROGENASES FORSCHUNGSZENTRUM JULICH GMBH (DE) 2023-09-21 US disclosed
CN-110423741-B Carbonyl reductase-coenzyme NADP+Co-immobilized enzyme and preparation and application thereof 浙江工业大学 2021-08-17 CN disclosed
CN-107779459-B Glucose dehydrogenase DNA molecule, vector, strain and application 安琪酵母股份有限公司 2021-06-08 CN disclosed
CN-107653238-B Carbonyl reductase gene engineering bacterium immobilized cell and application thereof 浙江工业大学 2021-05-11 CN disclosed
WO-2021057014-A1 KLUYVEROMYCES MARXIANUS ALDO-KETO REDUCTASE KMAKR MUTANT AND APPLICATION THEREOF 浙江工业大学 2021-04-01 WO disclosed
EP-1141373-B1 METHOD FOR THE ENANTIOSELECTIVE AND REGIOSELECTIVE REDUCTION OF 3,5-DIOXOCARBOXYLIC ACIDS, THEIR SALTS AND THEIR ESTERS FORSCHUNGSZENTRUM JUELICH GMBH (DE) 2006-05-17 EP disclosed
EP-1152054-B1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME KANEKA CORP (JP) 2005-03-23 EP disclosed
US-20040214297-A1 Enzymatic processes for the production of 4-substituted 3-hydroxybutyric acid derivatives CODEXIS, INC. 2004-10-28 US disclosed
WO-2003072793-A2 METHOD FOR PRODUCING ALCOHOLS FROM SUBSTRATES BY USING OXIDE REDUCTASES, TWO-PHASE SYSTEM COMPRISING AN AQUEOUS PHASE AND AN ORGANIC PHASE AND DEVICE FOR CARRYING OUT SAID METHOD Forschungszentrum Jülich GmbH (DE) 2003-09-04 WO disclosed
EP-1152054-A4 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME KANEKA CORP (JP) 2002-11-20 EP disclosed
US-6472544-B1 REACTING ACETIC ACID DERIVATIVE WITH AN ENOLATE, REDUCING WITH A MICROORGANISM, ACETALIZING IN PRESENCE OF ACID CATALYST THEN ALKALINE SAPONIFICATION; NO SPECIAL EQUIPMENT OR SUPER LOW TEMPERATURE REQUIRED; INEXPENSIVE STARTING MATERIALS KANEKA CORPORATION (JP) 2002-10-29 US disclosed
US-6399339-B1 SIMPLE AND EFFICIENT PROCESS USING ALCOHOL DEHYDROGENASE IN PRESENCE OF A COFACTOR FORSCHUNGSZENTRUM JULICH GMBH (DE) 2002-06-04 US disclosed
WO-2001040450-A1 NOVEL CARBONYL REDUCTASE, GENE THEREOF AND METHOD OF USING THE SAME KANEKA CORPORATION (JP) 2001-06-07 WO disclosed