Acetone

Acetone

SCHEMBL641922

CC#N.CC(C)=O.O

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

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

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Acetone SCHEMBL304990 1.00
Acetone SCHEMBL27552921 1.00 LMNA (0.55)
Acetone SCHEMBL28012937 0.96 LMNA (0.50)
Acetone SCHEMBL28074260 0.96
Acetone SCHEMBL5610508 0.96
Acetone SCHEMBL28247209 0.96
Acetic Acid SCHEMBL27912576 0.92 FFAR3 (0.54)
Acetone SCHEMBL9174987 0.89 LMNA (0.43)
Acetic Acid SCHEMBL4986972 0.87 FFAR3 (0.58)
Acetic Acid SCHEMBL4014382 0.87 FFAR3 (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11931365-B2 Use of PPAR-delta agonists in the treatment of disease RENEO PHARMACEUTICALS, INC. (US) 2024-03-19 US disclosed
US-20240016809-A1 USE OF PPAR-DELTA AGONISTS IN THE TREATMENT OF DISEASE RENEO PHARMACEUTICALS, INC. 2024-01-18 US disclosed
US-20240002356-A1 CRYSTALLINE PPAR-DELTA AGONIST JOHNSON MATTHEY PLC (GB) 2024-01-04 US disclosed
CN-116814729-A Method for inducing algae to efficiently synthesize astaxanthin 海南春蕾海洋生物科技有限公司 2023-09-29 CN disclosed
US-11713301-B2 Crystalline PPARδ agonist RENEO PHARMACEUTICALS, INC. (US) 2023-08-01 US disclosed
US-20230233570-A1 USE OF PPAR-DELTA AGONISTS IN THE TREATMENT OF DISEASE RENEO PHARMACEUTICALS, INC. 2023-07-27 US disclosed
EP-4185572-A1 CRYSTALLINE PPAR-DELTA AGONIST Reneo Pharmaceuticals, Inc. (US) 2023-05-31 EP disclosed
US-20230139502-A1 AZA-HETEROCYCLYL CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS X-BIOTIX THERAPEUTICS, INC. 2023-05-04 US disclosed
US-20220135532-A1 CRYSTALLINE PPAR-DELTA AGONIST JOHNSON MATTHEY PLC (GB) 2022-05-05 US disclosed
CN-114380725-A Method for continuously synthesizing thiophanate methyl 湖南海利化工股份有限公司 2022-04-22 CN disclosed
US-4755511-A Tricyclic pyridazinone compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1988-07-05 US disclosed
EP-0095295-B1 CYCLIC PEPTIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1987-01-14 EP disclosed
US-RE32311-E ANTIBIOTICS ELI LILLY AND COMPANY (US) 1986-12-16 US disclosed
US-RE32310-E ANTIBIOTICS ELI LILLY AND COMPANY (US) 1986-12-16 US disclosed
EP-0181145-A2 Heterocyclic compounds SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-05-14 EP disclosed
US-4524135-A DEACYLATION ELI LILLY AND COMPANY (US) 1985-06-18 US disclosed
US-4482487-A A-21978C cyclic peptides ELI LILLY AND COMPANY (US) 1984-11-13 US disclosed
EP-0095295-A1 Cyclic peptide derivatives ELI LILLY AND COMPANY (US) 1983-11-30 EP disclosed
US-4399067-A Derivatives of A-21978C cyclic peptides ELI LILLY AND COMPANY (US) 1983-08-16 US disclosed
US-4396543-A Derivatives of A-21978C cyclic peptides ELI LILLY AND COMPANY (US) 1983-08-02 US disclosed