3-Methylbutanoic Acid

3-Methylbutanoic Acid

SCHEMBL7810122

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

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.45
FFAR3 O14843 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
GPR84 Q9NQS5 7/20 0.44
PPARG P37231 7/20 0.44
PPARD Q03181 7/20 0.44
PPARA Q07869 7/20 0.44
HDAC11 Q96DB2 5/20 0.44
TSHR P16473 4/20 0.44
PTPN1 P18031 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
FABP4 P15090 2/20 0.44
KMT2A Q03164 2/20 0.44
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44

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
Hexanoate SCHEMBL27641969 0.94 AKR1B1 (0.48) AKR1B1GPR84PPARGPPARDPPARA
3-Methylbutanoic Acid SCHEMBL18740744 0.89 FFAR3 (0.48) AKR1B1FFAR3HDAC3HDAC1HDAC2
Hexanoate SCHEMBL27346240 0.88 AKR1B1 (0.53) AKR1B1FFAR3HDAC3HDAC1HDAC2
3-Methylbutanoic Acid SCHEMBL11446561 0.87 FFAR3 (0.59) AKR1B1FFAR3HDAC3HDAC1HDAC2
3-Methylbutanoic Acid SCHEMBL739849 0.87 AKR1B1 (0.58) AKR1B1FFAR3HDAC3HDAC1HDAC2
3-Methylbutanoic Acid SCHEMBL27658625 0.86 FFAR4 (0.37) AKR1B1FFAR3HDAC3HDAC1HDAC2
Hexanoate SCHEMBL27645750 0.85 AKR1B1 (0.64) AKR1B1FFAR3HDAC3HDAC1HDAC2
3-Methylbutanoic Acid SCHEMBL30420148 0.85 AKR1B1 (0.56) AKR1B1FFAR3HDAC3HDAC1HDAC2
3-Methylbutanoic Acid SCHEMBL15391343 0.85 AKR1B1 (0.44) AKR1B1GPR84PPARGPPARDPPARA
3-Methylbutanoic Acid SCHEMBL28746566 0.83 FFAR3 (0.54) AKR1B1FFAR3HDAC3HDAC1HDAC2

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
EP-1037964-A4 COMPETITIVE EXCLUSION CULTURE FOR SWINE US AGRICULTURE (US) 2001-11-07 EP disclosed
EP-1037964-A1 COMPETITIVE EXCLUSION CULTURE FOR SWINE The United States of America, represented by The Secretary of Agriculture (US) 2000-09-27 EP disclosed
WO-1999019459-A1 COMPETITIVE EXCLUSION CULTURE FOR SWINE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1999-04-22 WO disclosed