SCHEMBL8094352

SCHEMBL8094352

CC(C)CC(C)C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.52
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
HTR2A P28223 1/20 0.52
HRH1 P35367 1/20 0.52
KCNH2 Q12809 1/20 0.52
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
LMNA P02545 6/20 0.49
ALDH1A1 P00352 3/20 0.49
MDM2 Q00987 1/20 0.47

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
SCHEMBL31253313 0.86 PGR (0.50) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL11268130 0.84 PGR (0.49) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL268856 0.83 MDM2 (0.57) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL1801672 0.82 LMNA (0.56) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL8935027 0.82 TRPA1 (0.52) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL10345706 0.82 LMNA (0.53) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL6899911 0.82 MDM2 (0.55) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL10825050 0.81 PGR (0.46) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL13130583 0.81 PGR (0.50) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL2736655 0.81 L3MBTL1 (0.54) PGRADRA2AADRA2BHTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3665163-A1 USE OF AMBROCENIDE ® FOR INTENSIFYING A LILY OF THE VALLEY SCENT Symrise AG (DE) 2020-06-17 EP claimed
EP-0254432-A2 Method of preparing alpha-arylalkanoic esters Mallinckrodt, Inc. (a Delaware corporation) (US) 1988-01-27 EP claimed
JP-57163337-A None JP disclosed
CN-107074712-B Improvements in or relating to organic compounds 奇华顿股份有限公司 2021-06-29 CN disclosed
CN-107074713-B Phenyl-based compounds substituted with aldehyde moieties and their use in perfumery 奇华顿股份有限公司 2021-03-26 CN disclosed
CN-107074714-B Improvements in or relating to organic compounds 奇华顿股份有限公司 2020-11-06 CN disclosed
CN-111788305-A Lipase variants and compositions thereof 诺维信公司 2020-10-16 CN disclosed
CN-111670248-A Lipase variants and polynucleotides encoding same 诺维信公司 2020-09-15 CN disclosed
CN-111601887-A Alpha-amylase variants and polynucleotides encoding same 诺维信公司 2020-08-28 CN disclosed
CN-107074732-B Improvements in or relating to organic compounds 奇华顿股份有限公司 2020-08-18 CN disclosed
CN-111500552-A Polypeptides having lipase activity and polynucleotides encoding same 诺维信公司 2020-08-07 CN disclosed
EP-3665163-A1 USE OF AMBROCENIDE ® FOR INTENSIFYING A LILY OF THE VALLEY SCENT Symrise AG (DE) 2020-06-17 EP disclosed
EP-1053990-A2 A method of producing an aromatic ketone and an aromatic ketone composition containing it TORAY INDUSTRIES, INC. (JP) 2000-11-22 EP disclosed
EP-0254432-A2 Method of preparing alpha-arylalkanoic esters Mallinckrodt, Inc. (a Delaware corporation) (US) 1988-01-27 EP disclosed
EP-0048136-B1 PROCESS FOR PREPARING ALPHA-AROMATIC GROUP SUBSTITUTED ALKANOIC ACIDS OR ESTERS THEREOF SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1986-06-11 EP disclosed
JP-S57163337-A PREPARATION OF PROPIONIC ACID DERIVATIVE KYOWA HAKKO KOGYO CO LTD 1982-10-07 JP disclosed