Acetone

Acetone

SCHEMBL15328259

CC(C)=O.CC(C)=O.CCO.COCC(C)O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.36
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.30
ALDH1A1 P00352 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
Acetone SCHEMBL3316535 0.93 HSD17B10 (0.44) HSD17B10MAPTTDP1MAPK1TSHR
Alcohol SCHEMBL3425526 0.90
Butanone SCHEMBL9449827 0.86 TDP1 (0.48) HSD17B10MAPTTDP1MAPK1TSHR
Acetic Acid SCHEMBL3249560 0.85 MAPK1 (0.44) HSD17B10MAPTTDP1MAPK1TSHR
Alcohol SCHEMBL28349793 0.85 HSD17B10 (0.48) HSD17B10MAPTTDP1MAPK1TSHR
Acetic Acid SCHEMBL113972 0.85 MAPK1 (0.44) HSD17B10MAPTTDP1MAPK1TSHR
Acetic Acid SCHEMBL3255637 0.85 MAPK1 (0.44) HSD17B10MAPTTDP1MAPK1TSHR
Acetic Acid SCHEMBL2772542 0.85 MAPK1 (0.44) HSD17B10MAPTTDP1MAPK1TSHR
Butanone SCHEMBL6687114 0.84 TDP1 (0.46) HSD17B10MAPTTDP1MAPK1TSHR
Propylene Glycol SCHEMBL5485962 0.84 TDP1 (0.46) HSD17B10MAPTTDP1MAPK1TSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10357908-B2 Method for manufacturing resin substrate with hard coating film and resin substrate with hard coating film AGC Inc. (JP) 2019-07-23 US disclosed
US-20180148601-A1 ABRASION RESISTANT COATING COMPOSITION WITH INORGANIC METAL OXIDES MOMENTIVE PERFORMANCE MATERIALS INC. 2018-05-31 US disclosed
EP-3061586-A1 METHOD FOR PRODUCING RESIN SUBSTRATE WITH HARD COAT FILM, AND RESIN SUBSTRATE WITH HARD COAT FILM Asahi Glass Company, Limited (JP) 2016-08-31 EP disclosed
US-20160214294-A1 METHOD FOR MANUFACTURING RESIN SUBSTRATE WITH HARD COATING FILM AND RESIN SUBSTRATE WITH HARD COATING FILM ASAHI GLASS COMPANY, LIMITED (JP) 2016-07-28 US disclosed
EP-2666629-A1 RESIN SUBSTRATE PROVIDED WITH HARD-COAT COATING, AND METHOD FOR PRODUCING SAME Asahi Glass Company, Limited (JP) 2013-11-27 EP disclosed
US-20130309509-A1 RESIN SUBSTRATE PROVIDED WITH HARD COATING FILM, AND PROCESS FOR ITS PRODUCTION ASAHI GLASS COMPANY, LIMITED (JP) 2013-11-21 US disclosed
EP-2657013-A1 RESIN SUBSTRATE WITH A HARD COAT FILM AND PRODUCTION METHOD THEREOF Asahi Glass Company, Limited (JP) 2013-10-30 EP disclosed
US-20130280525-A1 RESIN SUBSTRATE PROVIDED WITH HARD COATING FILM AND PROCESS FOR ITS PRODUCTION ASAHI GLASS COMPANY, LIMITED (JP) 2013-10-24 US disclosed