Butyric Acid

Butyric Acid

SCHEMBL4452701

CC(C)(CO)CO.CC(C)C(=O)O.CCCC(=O)O

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
CYP1A2 P05177 1/20 0.39
AKR1B1 P15121 1/20 0.37
GPR84 Q9NQS5 7/20 0.35
PPARG P37231 7/20 0.35
PPARD Q03181 7/20 0.35
PPARA Q07869 7/20 0.35
HDAC11 Q96DB2 5/20 0.35
TSHR P16473 4/20 0.35
PTPN1 P18031 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TLR2 O60603 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
FABP4 P15090 2/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35

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 SCHEMBL8921701 0.89 FFAR3 (0.65) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL28561915 0.85 FFAR3 (0.72) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL1636728 0.85 TP53 (0.38) CYP1A2ALDH1A1TDP1OR51E2
SCHEMBL7934758 0.85 TP53 (0.38) CYP1A2ALDH1A1TDP1OR51E2
Butyric Acid SCHEMBL739375 0.85 FFAR3 (0.72) FFAR3HDAC3HDAC1HDAC2HDAC8
Acetic Acid SCHEMBL11758837 0.81 ALDH1A1 (0.36) FFAR3CYP1A2ALDH1A1TDP1OR51E2
Butyric Acid SCHEMBL5514388 0.81 FFAR3 (0.65) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL7818366 0.81 FFAR3 (0.65) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL27846565 0.81 FFAR3 (0.65) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL4445943 0.80 FFAR3 (0.43) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612228-B2 Synthetic method of glycol diesters from reaction of glycol monoesters and linear aliphatic carboxylic acids LG CHEM, LTD. (KR) 2009-11-03 US disclosed
US-20090023946-A1 SYNTHETIC METHOD OF GLYCOL DIESTERS FROM REACTION OF GLYCOL MONOESTERS AND LINEAR ALIPHATIC CARBOXYLIC ACIDS LG CHEM. LTD. (KR) 2009-01-22 US disclosed
US-7453008-B2 Synthetic method of glycol diesters from reaction of glycol monoesters and linear aliphatic carboxylic acids LG CHEM LTD. (KR) 2008-11-18 US disclosed
US-20070049764-A1 Synthetic method of glycol diesters from reaction of glycol monoesters and linear aliphatic carboxylic acids LG CHEM. LTD. (KR) 2007-03-01 US disclosed