Butyric Acid

Butyric Acid

SCHEMBL6684753

CCC(=O)O.CCCC(=O)O.CCCCO.CCCO

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 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 8/20 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
TSHR P16473 4/20 0.50
ALDH1A1 P00352 3/20 0.50
PTPN1 P18031 3/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
FFAR1 O14842 2/20 0.50
FFAR4 Q5NUL3 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 SCHEMBL1728044 0.93 FFAR3 (0.68) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL11355516 0.91 FFAR3 (0.65) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL7777837 0.91 FFAR3 (0.65) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL28175671 0.88 FFAR3 (0.62) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL27959816 0.88 FFAR3 (0.62) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL8603917 0.88 FFAR3 (0.62) FFAR3HDAC3HDAC1HDAC2HDAC8
Heptane SCHEMBL28449904 0.88 GPR84 (0.65) FFAR3HDAC3HDAC1HDAC2HDAC8
Propionic Acid SCHEMBL107943 0.88 ALDH1A1 (0.65) FFAR3AKR1B1GPR84PPARGPPARD
Propionic Acid SCHEMBL29199038 0.88 ALDH1A1 (0.65) FFAR3AKR1B1GPR84PPARGPPARD
Butyric Acid SCHEMBL17078357 0.86 FFAR3 (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004058398-A1 PLATINUM-RHENIUM-TIN CATALYST FOR HYDROGENATION IN AQUEOUS SOLUTION E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-07-15 WO disclosed
US-6670490-B1 Inert carbon support; high selectivity and long activity for production of tetrahydrofuran and 1,4-butanediol E. I. DU PONT DE NEMOURS AND COMPANY 2003-12-30 US disclosed