3-Methylbutanoic Acid

3-Methylbutanoic Acid

SCHEMBL3670028

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

nearest known ligand 0.58

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
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
AKR1B1 P15121 1/20 0.38
GPR84 Q9NQS5 7/20 0.37
PPARG P37231 6/20 0.37
PPARD Q03181 6/20 0.37
PPARA Q07869 6/20 0.37
HDAC11 Q96DB2 5/20 0.37
TSHR P16473 4/20 0.37
TLR2 O60603 2/20 0.37
FABP4 P15090 2/20 0.37
PTPN1 P18031 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
MEN1 O00255 1/20 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
3-Methylbutanoic Acid SCHEMBL5519850 0.91 FFAR3 (0.59) FFAR3HDAC3HDAC1HDAC2HDAC8
3-Methylbutanoic Acid SCHEMBL526714 0.91 FFAR3 (0.65) FFAR3HDAC3HDAC1HDAC2HDAC8
3-Methylbutanoic Acid SCHEMBL11650777 0.88 FFAR3 (0.54) FFAR3HDAC3HDAC1HDAC2HDAC8
3-Methylbutanoic Acid SCHEMBL28746566 0.88 FFAR3 (0.54) FFAR3HDAC3HDAC1HDAC2HDAC8
3-Methylbutanoic Acid SCHEMBL11446561 0.87 FFAR3 (0.59) FFAR3HDAC3HDAC1HDAC2HDAC8
3-Methylbutanoic Acid SCHEMBL28545967 0.87 TDP1 (0.52) ALDH1A1TDP1SLC22A6ALOX15
Pyruvate SCHEMBL11244266 0.84 FFAR3 (0.77) FFAR3HDAC3HDAC1HDAC2HDAC8
3-Methylbutanoic Acid SCHEMBL18740744 0.82 FFAR3 (0.48) FFAR3HDAC3HDAC1HDAC2HDAC8
Hexanoate SCHEMBL27555941 0.82 AKR1B1 (0.59) FFAR3HDAC3HDAC1HDAC2HDAC8
Hexanoate SCHEMBL27645750 0.82 AKR1B1 (0.64) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013187891-A1 METHOD FOR TREATING A PULMONARY DISEASE STATE IN MAMMALS BY UP REGULATING INDIGENOUS IN VIVO LEVELS OF INFLAMMATORY AGENTS IN MAMMALIAN CELLS MARTIN ALAIN (US) 2013-12-19 WO disclosed
EP-2187738-A1 METHOD FOR TREATING A PULMONARY DISEASE STATE IN MAMMALS BY UP OR DOWN REGULATING INDIGENOUS IN VIVO LEVELS OF INFLAMMATORY AGENTS IN MAMMALIAN CELLS Cellular Sciences, Inc. (US) 2010-05-26 EP disclosed
WO-2009020582-A1 METHOD FOR TREATING A PULMONARY DISEASE STATE IN MAMMALS BY UP OR DOWN REGULATING INDIGENOUS IN VIVO LEVELS OF INFLAMMATORY AGENTS IN MAMMALIAN CELLS CELLULAR SCIENCES, INC. (US) 2009-02-12 WO disclosed