Butyric Acid

Butyric Acid

SCHEMBL2156548

CCC#CO.CCCC(=O)O

nearest known ligand 0.62

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.62
HDAC3 O15379 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
AKR1B1 P15121 1/20 0.42
PTPN7 P35236 4/20 0.42
HMGCR P04035 1/20 0.42
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 7/20 0.41
PPARD Q03181 7/20 0.41
PPARA Q07869 7/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
PTPN1 P18031 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
TLR2 O60603 2/20 0.41
FABP4 P15090 2/20 0.41
MEN1 O00255 2/20 0.41

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
Butyric Acid SCHEMBL2587933 0.82
Acetic Acid SCHEMBL2155455 0.79
Butyric Acid SCHEMBL8458708 0.79 FFAR3 (1.00) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL991717 0.79 FFAR3 (1.00) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL5703921 0.79 FFAR3 (1.00) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL4446516 0.79 FFAR3 (1.00) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL1332215 0.79
Butyric Acid SCHEMBL8457839 0.79 FFAR3 (1.00) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL20678495 0.79
Butyric Acid SCHEMBL339305 0.79 FFAR3 (1.00) FFAR3HDAC3HDAC1HDAC2HDAC8

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 11 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
EP-1805302-B1 HYDROLYSIS OF ESTER BONDS WITH LIPASE NOVOZYMES AS (DK) 2012-08-15 EP disclosed
US-8008051-B2 Butynol I esterase BASF AKTIENGESELLSCHAFT (DE) 2011-08-30 US disclosed
US-7972831-B2 Lipases from thermophilic anaerobes NOVOZYMES A/S (DK) 2011-07-05 US 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
US-7531331-B2 Butynol I esterase BASF AKTIENGESELLSCHAFT (DE) 2009-05-12 US disclosed
US-20090029410-A1 Lipases from Thermophilic Anaerobes NOVOZYMES A/S (DK) 2009-01-29 US disclosed
EP-1805302-A1 HYDROLYSIS OF ESTER BONDS WITH LIPASE Novozymes A/S (DK) 2007-07-11 EP disclosed
WO-2006037334-A1 HYDROLYSIS OF ESTER BONDS WITH LIPASE NOVOZYMES A/S (DK) 2006-04-13 WO disclosed
US-20050181472-A1 Butinol i esterase BASF AKTIENGESELLSCHAFT (DE) 2005-08-18 US disclosed