3-Methylbutanoic Acid

3-Methylbutanoic Acid

SCHEMBL5035223

CC(C)CC(=O)O.CCCCOC(=O)CC(C)C

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.46
ALDH1A1 P00352 1/20 0.45
ATM Q13315 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
DGKA P23743 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
RAD52 P43351 1/20 0.40
MMP9 P14780 2/20 0.39
MMP13 P45452 2/20 0.39
MMP8 P22894 1/20 0.39
GPR84 Q9NQS5 2/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39

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
SCHEMBL95383 0.92 ALDH1A1 (0.52) NAAAALDH1A1ATMHCAR2DGKA
SCHEMBL1866046 0.92 ALDH1A1 (0.52) NAAAALDH1A1ATMHCAR2DGKA
Valeric Acid SCHEMBL20501258 0.89 AKR1B1 (0.45) NAAAALDH1A1DGKATSHRGPR84
3-Methylbutanoic Acid SCHEMBL5033126 0.89 MMP1 (0.41) NAAAALDH1A1HCAR2DGKAL3MBTL1
SCHEMBL1774027 0.86 NAAA (0.61) NAAAALDH1A1HCAR2DGKANPSR1
SCHEMBL24249831 0.85 NAAA (0.64) NAAAHCAR2DGKANPSR1MAPT
SCHEMBL3504225 0.85 NAAA (0.64) NAAAHCAR2DGKANPSR1MAPT
SCHEMBL17891951 0.85 NAAA (0.64) NAAAHCAR2DGKANPSR1MAPT
SCHEMBL4316279 0.85 NAAA (0.64) NAAAHCAR2DGKANPSR1MAPT
SCHEMBL23948108 0.85 NAAA (0.64) NAAAHCAR2DGKANPSR1MAPT

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
US-8357508-B2 Agitating and rapid heating in solvent, separating, suspending, precipitating PHB INDUSTRIAL S.A. (BR) 2013-01-22 US disclosed
US-20080193987-A1 Process for Extracting and Recovering Polyhydroxyalkanoates (Phas) From Cellular Biomass PHB INDUSTRIAL S.A. (BR) 2008-08-14 US disclosed