SCHEMBL17733

SCHEMBL17733

CC(C)CC(=O)CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP2C19 P33261 2/20 0.43
LDHA P00338 1/20 0.42
SRR Q9GZT4 1/20 0.42
CA2 P00918 1/20 0.42
CYP2D6 P10635 1/20 0.40
CACNA2D1 P54289 2/20 0.38
CACNB3 P54284 1/20 0.38
CACNA1C Q13936 1/20 0.38
PGR P06401 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
CACNA2D2 Q9NY47 1/20 0.38
ACHE P22303 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL28073104 0.97 ALDH1A1 (0.43) ALDH1A1TDP1CYP2C19LDHASRR
SCHEMBL28226381 0.87 HDAC3 (0.42) ALDH1A1TDP1CYP2C19CA2SLC22A6
SCHEMBL1924519 0.85 ALDH1A1 (0.53) ALDH1A1TDP1CYP2C19CA2CYP2D6
Hydrogen Peroxide SCHEMBL16799548 0.82 CYP2C19 (0.56) ALDH1A1TDP1CYP2C19CA2CYP2D6
SCHEMBL1259907 0.81 LDHA (0.40) ALDH1A1TDP1CYP2C19LDHASRR
SCHEMBL7781837 0.81 LDHA (0.40) ALDH1A1TDP1CYP2C19LDHASRR
SCHEMBL6519391 0.80 ALDH1A1 (0.34) ALDH1A1TDP1CYP2C19LDHASRR
SCHEMBL3376074 0.79 CA2 (0.44) ALDH1A1TDP1CYP2C19CA2CYP2D6
SCHEMBL6519753 0.79 ALDH1A1 (0.42) ALDH1A1TDP1CYP2C19CA2CYP2D6
SCHEMBL396564 0.79 GABRP (0.46) ALDH1A1TDP1LDHASRRCACNA2D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2223995-B2 CLEANING AGENT FOR REMOVING PAINT LAYERS ON SURFACES, METHOD FOR MANUFACTURING THE AGENT AND CLEANING METHOD INTELLIGENT FLUIDS GMBH (DE) 2024-12-11 EP claimed
EP-3652158-B1 METHOD FOR PREPARING PYRIMIDONE COMPOUND SUNSHINE LAKE PHARMA CO LTD (CN) 2024-05-29 EP claimed
EP-3894386-B1 CURABLE COATING COMPOSITIONS EASTMAN CHEM CO (US) 2024-02-21 EP claimed
EP-3654926-B1 CONTROLLED RELEASE POLYMER ENCAPSULATED FRAGRANCES RDJE TECH LLC (US) 2023-09-06 EP claimed
EP-2935490-B1 ORGANOPOLYSILOXANE COMPOSITION SUITABLE FOR VULCANISATION INTO AN ELASTOMER AT ROOM TEMPERATURE AND NEW ORGANOPOLYSILOXANE POLYCONDENSATION CATALYSTS ELKEM SILICONES FRANCE SAS (FR) 2022-12-21 EP claimed
EP-3055401-B1 USE OF PLURIPHASIC LIQUIDS FOR STRIPPING CROSSLINKED PHOTORESIST INTELLIGENT FLUIDS GMBH (DE) 2022-11-23 EP claimed
EP-3578540-B1 DIALKYLZINC- AND DIALKYLZINC PARTIAL HYDROLYSATE-CONTAINING SOLUTION, AND METHOD FOR PRODUCING ZINC OXIDE THIN FILM USING SOLUTION TOSOH FINECHEM CORP (JP) 2022-05-04 EP claimed
EP-3737707-A1 PHENOLIC RESIN BINDER WITH REDUCED FORMADEHYDE CONTENT ASK Chemicals GmbH (DE) 2020-11-18 EP claimed
EP-2496649-B2 FILM-FORMING COMPOSITION CONTAINING AN AGENT CAPABLE OF TRAPPING FORMALDEHYDE SAINT GOBAIN ADFORS (FR) 2020-10-28 EP claimed
EP-3385304-B1 ORGANOPOLYSILOXANE COMPOSITION WHICH CAN BE VULCANISED AT AMBIENT TEMPERATURE IN ELASTOMER ELKEM SILICONES FRANCE SAS (FR) 2020-07-15 EP claimed
EP-0912467-B1 ASYMMETRIC HYDROGENATION METHOD OF A KETONIC COMPOUND AND DERIVATIVE RHODIA CHIMIE SA (FR) 2002-04-24 EP claimed
WO-2001009218-A1 ORGANOMETALLIC COMPOSITIONS AND POLYISOCYANATE COMPOSITIONS CONTAINING THEM ACMA LIMITED (GB) 2001-02-08 WO claimed
EP-0555879-B1 Coating composition and process for manufacturing the same JAPAN SYNTHETIC RUBBER CO LTD (JP) 1997-05-07 EP claimed
US-4994151-A Oxygenated organic compounds as additional extractive agents Berg, Lloyd (US) 1991-02-19 US claimed
EP-0408674-A1 ALTERNATIVE ENERGY SUBSTRATE Kabi Pharmacia AB (SE) 1991-01-23 EP claimed
US-4948471-A INCREASING RELATIVE VOLATILITY Berg, Lloyd (US) 1990-08-14 US claimed
EP-0366632-A1 Alternative energy substrates KABIVITRUM AB (SE) 1990-05-02 EP claimed
WO-1990002726-A1 ALTERNATIVE ENERGY SUBSTRATE KABIVITRUM AB (SE) 1990-03-22 WO claimed
US-4761495-A Method relating to preparation of aspartyl peptides ISOCHEM S.A. (FR) 1988-08-02 US claimed
EP-0219626-A2 Film-forming compositions comprising polyglutarimide International Business Machines Corporation (US) 1987-04-29 EP claimed