Cyclohexanone

Cyclohexanone

SCHEMBL999716

O=C(O)O.O=C1CCCCC1

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Cyclohexanone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.73
TRIM33 Q9UPN9 2/20 0.73
ALDH1A1 P00352 2/20 0.73
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
TSHR P16473 2/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CASP1 P29466 1/20 0.32
MCL1 Q07820 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GRIK1 P39086 1/20 0.31
ESR2 Q92731 1/20 0.31
KMT2A Q03164 2/20 0.31

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
Cyclopentanone SCHEMBL8542126 0.97 TRIM24 (0.71) TRIM24TRIM33ALDH1A1CA1CA2
Cyclopentanone SCHEMBL28241904 0.93 TRIM24 (0.67) TRIM24TRIM33ALDH1A1CA1CA2
Cyclohexanone SCHEMBL375072 0.93
Cyclohexanone SCHEMBL999872 0.88 TRIM24 (0.65) TRIM24TRIM33ALDH1A1TSHRKDM4E
Cyclohexanone SCHEMBL28536813 0.88 TRIM24 (0.65) TRIM24TRIM33ALDH1A1KMT2A
Cyclohexanone SCHEMBL9421237 0.88 TRIM24 (0.65) TRIM24TRIM33ALDH1A1KMT2A
Cyclohexanone SCHEMBL3600071 0.88 TRIM24 (0.65) TRIM24TRIM33ALDH1A1KMT2A
Cycloheptanone SCHEMBL3602798 0.88 TRIM24 (0.65) TRIM24TRIM33ALDH1A1KMT2A
SCHEMBL25380098 0.86 TRIM24 (1.00) TRIM24TRIM33ALDH1A1CA1CA2
SCHEMBL112034 0.86 TRIM24 (1.00) TRIM24TRIM33ALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117753326-A System and method for continuously producing poly (cyclohexylene carbonate) 陕西煤业化工技术研究院有限责任公司 2024-03-26 CN claimed
CN-117753063-A Post-treatment and devolatilization system and method for producing polycyclohexanediate 陕西煤业化工技术研究院有限责任公司 2024-03-26 CN claimed
CN-117164840-A Production process of carbon dioxide-based poly (cyclohexylene carbonate) 陕西煤业化工技术研究院有限责任公司 2023-12-05 CN claimed
EP-3078374-B1 INDOMETHACIN ANALOGS FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER UNIV VANDERBILT (US) 2019-06-19 EP claimed
JP-2011500282-A 2011-01-06 JP claimed
EP-2214598-A2 RANDOM AMORPHOUS TERPOLYMER CONTAINING LACTIDE AND GLYCOLIDE Abbott Cardiovascular Systems Inc. (US) 2010-08-11 EP claimed
WO-2009055426-A2 RANDOM AMORPHOUS TERPOLYMER CONTAINING LACTIDE AND GLYCOLIDE ABBOTT CARDIOVASCULAR SYSTEMS INC. (US) 2009-04-30 WO claimed
EP-1589031-B1 Production of polyketides and other natural products BIOTICA TECH LTD (GB) 2007-08-15 EP claimed
EP-1444206-B1 SUBSTITUTED BENZO[B]AZEPIN-2-ONE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2006-03-15 EP claimed
JP-2005511570-A 2005-04-28 JP claimed
WO-2003037870-A1 SUBSTITUTED 1H-QUINOLIN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2003-05-08 WO claimed
WO-2003037863-A2 SUBSTITUTED INDOLES, METHOD FOR PRODUCTION AND USE THEREOF FOR THE INHIBITION OF PAIN Grünenthal GmbH (DE) 2003-05-08 WO claimed
WO-2003037879-A1 SUBSTITUTED (1H)-QUINOXALIN-2-ONE COMPOUNDS AND SUBSTITUTED 4-ARYL- AND 4-HETEROARYLCYCLOHEXANE COMPOUNDS Grünenthal GmbH (DE) 2003-05-08 WO claimed
WO-2003037873-A1 SUBSTITUTED BENZO[B]AZEPIN-2-ONE COMPOUNDS Grünenthal GmbH (DE) 2003-05-08 WO claimed
EP-0287842-B1 CURABLE COMPOSITIONS CONTAINING A MICHAEL-ADDITION PRODUCT, THEIR PREPARATION AND USE BASF Lacke + Farben AG (DE) 1991-06-12 EP claimed
WO-1991000922-A1 PROCESS FOR PRODUCING LOWER ALKYL ESTERS OF R-(+)-3-OXOCYCLOALKANE CARBOXYLIC ACIDS BOEHRINGER INGELHEIM KG (DE) 1991-01-24 WO claimed
EP-0407909-A1 Process for the preparation of R-(+)-3-oxo cycloalkane carboxylic lower alkyl esters BOEHRINGER INGELHEIM KG (DE) 1991-01-16 EP claimed
EP-0342205-A1 HARDENABLE COMPOSITION ON THE BASIS OF A MICHAEL ADDITION PRODUCT, PROCESS FOR THE MANUFACTURE THEREOF AND USE THEREOF BASF Lacke + Farben AG (DE) 1989-11-23 EP claimed
EP-0287842-A1 Curable compositions containing a Michael-addition product, their preparation and use BASF Lacke + Farben AG (DE) 1988-10-26 EP claimed
WO-1988007556-A1 HARDENABLE COMPOSITION ON THE BASIS OF A MICHAEL ADDITION PRODUCT, PROCESS FOR THE MANUFACTURE THEREOF AND USE THEREOF BASF LACKE + FARBEN AKTIENGESELLSCHAFT (DE) 1988-10-06 WO claimed