SCHEMBL3487938

SCHEMBL3487938

C#CC(C)OC(=O)CCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
LMNA P02545 4/20 0.42
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FFAR3 O14843 2/20 0.32
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
PRKCA P17252 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL10010582 0.89 LMNA (0.38) LMNAMAPTMAPK1MEN1KMT2A
SCHEMBL27878788 0.86 LMNA (0.61) ALDH1A1LMNAMAPTMAPK1MEN1
SCHEMBL9100884 0.85 LMNA (0.48) ALDH1A1LMNAMAPTMAPK1MEN1
SCHEMBL10009455 0.85 LMNA (0.44) ALDH1A1LMNAMAPTMAPK1MEN1
SCHEMBL10010733 0.82 LMNA (0.33) LMNAMAPTMEN1KMT2ATDP1
SCHEMBL10012234 0.82 EGLN1 (0.41) LMNAMAPTMEN1KMT2ATDP1
SCHEMBL10012442 0.82 LMNA (0.33) LMNAMEN1KMT2ATDP1
SCHEMBL10011858 0.82 TSHR (0.52) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL7287991 0.81 ALDH1A1 (0.46) ALDH1A1LMNAMAPTMAPK1CES2
SCHEMBL28387385 0.79 ALDH1A1 (0.44) ALDH1A1LMNAMAPTMAPK1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9187737-B2 Mutants of a pseudomonas glumae butynol esterase BASF SE (DE) 2015-11-17 US disclosed
CN-104795595-A Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES 2015-07-22 CN disclosed
CN-102498605-B Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES 2015-05-20 CN disclosed
CN-101501189-B Proteins with esterase activity BASF SE 2012-09-26 CN disclosed
US-20100196970-A1 Butynol I esterase HAUER BERNHARD 2010-08-05 US disclosed
US-20100068760-A1 PROTEINS WITH ESTERASE ACTIVITY BASF SE (DE) 2010-03-18 US disclosed
EP-1169467-B1 PROCESS FOR THE PREPARATION OF PROSTAGLANDIN PRECURSORS CHIROTECH TECHNOLOGY LTD (GB) 2010-02-17 EP disclosed
CN-101501189-A Proteins with esterase activity BASF SE (DE) 2009-08-05 CN disclosed
US-7531331-B2 Butynol I esterase BASF AKTIENGESELLSCHAFT (DE) 2009-05-12 US disclosed
CN-100379867-C Butinol I esterase BASF AG (DE) 2008-04-09 CN disclosed
US-7314739-B2 Lipase variants BASF AKTIENGESELLSCHAFT (DE) 2008-01-01 US disclosed
US-20050255571-A1 Biocatalysts in chemical reactions, activity, stability and enantioselectivity; for the preparation of optically active compounds BASF AKTIENGESELLSCHAFT (DE) 2005-11-17 US disclosed
US-20050181472-A1 Butinol i esterase BASF AKTIENGESELLSCHAFT (DE) 2005-08-18 US disclosed
CN-1449447-A Butinol I esterase BASF AG (DE) 2003-10-15 CN disclosed
US-6596520-B1 Preparation of immobilized lipase; obtain crude lipase solution, expose to polypropylene, adsorb lipase to polypropylene particles, recover immbolized lipase BASF AKTIENGESELLSCHAFT (DE) 2003-07-22 US disclosed