SCHEMBL584902

SCHEMBL584902

CC(C)(CCCc1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.59
POLB P06746 1/20 0.53
PPARA Q07869 4/20 0.53
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GRM2 Q14416 1/20 0.49
GRM3 Q14832 1/20 0.49

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
SCHEMBL6372107 0.93 LTB4R (0.68) LTB4RPOLBPPARAHDAC3HDAC4
SCHEMBL17748289 0.93 LTB4R (0.68) LTB4RPOLBPPARAHDAC3HDAC4
SCHEMBL27580342 0.93 LTB4R (0.68) LTB4RPOLBPPARAHDAC3HDAC4
SCHEMBL22921999 0.92 LTB4R (0.51) LTB4RPPARAADRA1ASMN1; SMN2TDP1
SCHEMBL22921236 0.89 LTB4R (0.52) LTB4RPOLBPPARAADRA1ASMN1; SMN2
SCHEMBL173883 0.88 CYP1A2 (0.51) LTB4RPOLBPPARAHDAC3HDAC4
SCHEMBL30080837 0.88 CYP1A2 (0.51) LTB4RPOLBPPARAHDAC3HDAC4
SCHEMBL28208793 0.87 LMNA (0.51) LTB4RPOLBHDAC3HDAC4HDAC1
SCHEMBL2444332 0.87 POLB (0.51) LTB4RPOLBHDAC3HDAC4HDAC1
SCHEMBL22921268 0.86 LTB4R (0.57) LTB4RPPARAADRA1ASMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2072083-B1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma SYMRISE AG (DE) 2012-02-15 EP claimed
EP-1967080-B1 Non-aldehyde cinnamon flavor and delivery systems therefor CADBURY ADAMS USA LLC (US) 2010-06-02 EP claimed
EP-2072083-A1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma Symrise GmbH & Co. KG (DE) 2009-06-24 EP claimed
EP-1682230-A1 4,8-DIMETHYL-7-NONEN-2-ONE AND 4,8-DIMETHYLNONAN-2-ONE USED AS PERFUMES Symrise GmbH & Co. KG (DE) 2006-07-26 EP claimed
WO-2005004825-A1 4,8-DIMETHYL-7-NONEN-2-ONE AND 4,8-DIMETHYLNONAN-2-ONE USED AS PERFUMES SYMRISE GMBH & CO. KG (DE) 2005-01-20 WO claimed
EP-1029032-B1 LAUNDRY TREATMENT PRODUCTS FOR SPANDEX CONTAINING FABRICS UNILEVER PLC (GB) 2004-03-03 EP claimed
EP-1119250-B1 INSECT REPELLENTS QUEST INT (NL) 2002-11-06 EP claimed
CN-115141138-B Method for constructing fluoride by decarboxylation of alkyl carboxylic acid 中山大学 2023-11-28 CN disclosed
CN-115141138-A Method for constructing fluoride by decarboxylation of alkyl carboxylic acid 中山大学 2022-10-04 CN disclosed
CN-108601958-B Pro-fragrance compositions 爱客多有限公司 2022-06-17 CN disclosed
CN-114126593-A Functionalized long chain hydrocarbon mono-and dicarboxylic acids useful for preventing or treating disease 埃斯佩尔维塔治疗股份有限公司 2022-03-01 CN disclosed
WO-2020243754-A1 LIGAND-ENABLED ß-C(sp3)–H LACTONIZATION FOR ß-C–H FUNCTIONALIZATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2020-12-03 WO disclosed
EP-2072083-B1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma SYMRISE AG (DE) 2012-02-15 EP disclosed
WO-2000019822-A1 INSECT REPELLENTS QUEST INTERNATIONAL B.V. (NL) 2000-04-13 WO disclosed
US-5800897-A Air freshener composition containing a fiber pad EASTMAN CHEMICAL COMPANY (US) 1998-09-01 US disclosed
WO-1997026926-A1 AIR FRESHENER COMPOSITION CONTAINING A FIBER PAD EASTMAN CHEMICAL COMPANY (US) 1997-07-31 WO disclosed
US-4395410-A Quaternary ammonium antiarrhythmic drugs ELI LILLY AND COMPANY (US) 1983-07-26 US disclosed
EP-0002604-B1 QUATERNARY AMMONIUM SALTS, AND THEIR FORMULATIONS AND PREPARATION ELI LILLY AND COMPANY (US) 1983-05-04 EP disclosed
US-4289787-A PROLONG ACTION POTENTIAL OF CARDIAC TISSUE ELI LILLY AND COMPANY (US) 1981-09-15 US disclosed
EP-0002604-A1 Quaternary ammonium salts, and their formulations and preparation ELI LILLY AND COMPANY (US) 1979-06-27 EP disclosed