3-Methylbutanoic Acid

3-Methylbutanoic Acid

SCHEMBL5033115

CC(C)CC(=O)O.CC(C)CCOC(=O)CC(C)C

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
MAPK1 P28482 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARG P37231 1/20 0.36
GAA P10253 2/20 0.36
PKM P14618 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL113763 0.92 CYP19A1 (0.49) CYP19A1MMP1MMP2MMP3MMP9
SCHEMBL901332 0.92 CYP19A1 (0.49) CYP19A1MMP1MMP2MMP3MMP9
3-Methylbutanoic Acid SCHEMBL5033126 0.84 MMP1 (0.41) MMP1MMP2MMP3MMP9MMP13
3-Methylbutanoic Acid SCHEMBL28865112 0.84 ALOX15 (0.44) CYP19A1MAPK1CA12CA1CA2
3-Methylbutanoic Acid SCHEMBL21517817 0.81 DGKA (0.56) MAPK1TDP1ALDH1A1KMT2A
SCHEMBL23036805 0.81 ALOX15 (0.44) CYP19A1MMP1MMP2MMP3MMP9
3-Methylbutanoic Acid SCHEMBL5035223 0.81 NAAA (0.46) MMP1MMP2MMP3MMP9MMP13
SCHEMBL5033117 0.81 CYP19A1 (0.41) CYP19A1MMP1MMP2MMP3MMP9
SCHEMBL29833559 0.80 MMP1 (0.43) CYP19A1MMP1MMP2MMP3MMP9
SCHEMBL18378814 0.80 MMP1 (0.46) MMP1MMP2MMP3MMP9MMP13

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
US-20080193987-A1 Process for Extracting and Recovering Polyhydroxyalkanoates (Phas) From Cellular Biomass PHB INDUSTRIAL S.A. (BR) 2008-08-14 US claimed
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