Butyric Acid

Butyric Acid

SCHEMBL9904240

CCCC(=O)O.COC(=O)C(C)O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.54
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
TSHR P16473 5/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
AKR1B1 P15121 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
FFAR1 O14842 2/20 0.37
GPR84 Q9NQS5 7/20 0.37
PPARG P37231 7/20 0.37
PPARD Q03181 7/20 0.37
PPARA Q07869 7/20 0.37
HDAC11 Q96DB2 5/20 0.37
PTPN1 P18031 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37

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 SCHEMBL23581101 0.85 FFAR3 (0.56) FFAR3HDAC3HDAC1HDAC2HDAC8
Valeric Acid SCHEMBL27822875 0.82 AKR1B1 (0.44) TSHRCA1CA2AKR1B1FFAR4
Methyl 2-Methylbutanoate SCHEMBL9079186 0.82 FFAR3 (0.52) FFAR3HDAC3HDAC1HDAC2HDAC8
Glycolic Acid SCHEMBL3891904 0.80 SMN1; SMN2 (0.39) TSHRCA1CA2ALDH1A1MEN1
Hexane SCHEMBL10785370 0.80 ZDHHC7 (0.53) CA1CA2GPR84MEN1KMT2A
Butyric Acid SCHEMBL27774826 0.80 FFAR3 (0.50) FFAR3HDAC3HDAC1HDAC2HDAC8
Alcohol SCHEMBL2688496 0.80 SMN1; SMN2 (0.42) TSHRCA1CA2ALDH1A1MEN1
Lactic Acid SCHEMBL183593 0.80 FFAR3 (0.68) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL4578587 0.79 FFAR3 (0.77) FFAR3HDAC3HDAC1HDAC2HDAC8
Butyric Acid SCHEMBL8908724 0.79 FFAR3 (0.77) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012077053-A1 METHOD FOR PREPARING NONI JUICE CENTRE DE COOPERATION INTERNATIONALE EN RECHERCHE AGRONOMIQUE POUR LE DEVELOPPEMENT (CIRAD) (FR) 2012-06-14 WO disclosed