Butyric Acid

Butyric Acid

SCHEMBL3412203

CCCC(=O)O.CCCCN(C)C

nearest known ligand 0.59

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.59
HDAC3 O15379 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
AKR1B1 P15121 1/20 0.52
GPR84 Q9NQS5 7/20 0.50
PPARG P37231 7/20 0.50
PPARD Q03181 7/20 0.50
PPARA Q07869 7/20 0.50
HDAC11 Q96DB2 5/20 0.50
KDM4C Q9H3R0 5/20 0.50
TSHR P16473 4/20 0.50
PTPN1 P18031 3/20 0.50
KDM5A P29375 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50

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 SCHEMBL8168106 0.93 FFAR3 (0.62) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL1136353 0.91 DNM1 (0.62) GPR84PPARGPPARDPPARAHDAC11
Butyric Acid SCHEMBL15841789 0.91 DNM1 (0.62) GPR84PPARGPPARDPPARAHDAC11
Butyric Acid SCHEMBL4296264 0.91 DNM1 (0.62) GPR84PPARGPPARDPPARAHDAC11
Butyric Acid SCHEMBL4302171 0.91 DNM1 (0.62) GPR84PPARGPPARDPPARAHDAC11
Butyric Acid SCHEMBL4934525 0.90 DNM1 (0.60) GPR84PPARGPPARDPPARAHDAC11
Butyric Acid SCHEMBL1101100 0.90 DNM1 (0.60) GPR84PPARGPPARDPPARAHDAC11
Hexanoate SCHEMBL3410840 0.89 AKR1B1 (0.70) AKR1B1GPR84PPARGPPARDPPARA
Decanoic Acid SCHEMBL3416121 0.87 GPR84 (0.71) AKR1B1GPR84PPARGPPARDPPARA
Octanoic Acid SCHEMBL3408114 0.87 GPR84 (0.71) AKR1B1GPR84PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265617-B1 SOLVENTS BIONIQS LTD (GB) 2014-07-02 EP claimed
EP-2265617-A1 SOLVENTS Bioniqs Limited (GB) 2010-12-29 EP claimed
WO-2009034329-A1 SOLVENTS BIONIQS LIMITED (GB) 2009-03-19 WO claimed
EP-2265617-B1 SOLVENTS BIONIQS LTD (GB) 2014-07-02 EP disclosed
EP-2265617-A1 SOLVENTS Bioniqs Limited (GB) 2010-12-29 EP disclosed
WO-2009034329-A1 SOLVENTS BIONIQS LIMITED (GB) 2009-03-19 WO disclosed