3-Methylbutanoic Acid

3-Methylbutanoic Acid

SCHEMBL28019449

CC(C)CC(=O)O.CCCCCCCCCCCCCCCCCCCCCCCCCCO

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
HSD17B10 Q99714 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GPR84 Q9NQS5 10/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
PPARG P37231 6/20 0.46
PPARD Q03181 6/20 0.46
PPARA Q07869 6/20 0.46
HDAC11 Q96DB2 5/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FABP4 P15090 2/20 0.46
PTPN1 P18031 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
ESR1 P03372 1/20 0.46
ALOX15 P16050 1/20 0.46

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
Hexadecane SCHEMBL27840691 0.91 GPR84 (0.59) TSHRALDH1A1HSD17B10MEN1KMT2A
Octane SCHEMBL2717632 0.91 GPR84 (0.59) TSHRALDH1A1HSD17B10MEN1KMT2A
3-Methylbutanoic Acid SCHEMBL503119 0.91 GPR84 (0.59) TSHRALDH1A1HSD17B10MEN1KMT2A
3-Methylbutanoic Acid SCHEMBL627178 0.89 GPR84 (0.56) TSHRALDH1A1HSD17B10MEN1KMT2A
Undecanoate SCHEMBL15528113 0.83 GPR84 (0.71) TSHRALDH1A1LMNAHSD17B10MEN1
Nonanoate SCHEMBL15527828 0.83 GPR84 (0.71) TSHRALDH1A1LMNAHSD17B10MEN1
Decanoic Acid SCHEMBL15528050 0.83 GPR84 (0.71) TSHRALDH1A1LMNAHSD17B10MEN1
Octanoic Acid SCHEMBL15528089 0.83 GPR84 (0.71) TSHRALDH1A1LMNAHSD17B10MEN1
Myristyl Alcohol SCHEMBL8390931 0.83 ALDH1A1 (0.58) TSHRALDH1A1LMNAHSD17B10MEN1
Cetyl Alcohol SCHEMBL8391123 0.83 ALDH1A1 (0.58) TSHRALDH1A1LMNAHSD17B10MEN1

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
CN-104725722-A Polypropylene composite material for capacitor films SUZHOU HUANYAN ELECTRICAL CO 2015-06-24 CN disclosed