SCHEMBL467275

SCHEMBL467275

CC(C)CC(=O)OCC(C)CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
PRKCA P17252 2/20 0.41
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CACNA2D1 P54289 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
PGR P06401 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35
PTPN1 P18031 1/20 0.34
GLA P06280 1/20 0.34
BHMT Q93088 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33

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 SCHEMBL5033120 0.85 MMP1 (0.44) MMP1MMP2MMP3MMP9MMP13
SCHEMBL5033123 0.85 PRKCA (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL13863992 0.83 TSHR (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL18949224 0.82 PRKCA (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL574287 0.81 MAPT (0.44) MMP1MMP2MMP3MMP9MMP13
SCHEMBL5028703 0.80 MMP1 (0.44) MMP1MMP2MMP3MMP9MMP13
SCHEMBL128660 0.80 TSHR (0.48) MMP1MMP2MMP3MMP9MMP13
SCHEMBL11004282 0.79 PRKCA (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL11004084 0.79 PRKCA (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL5033127 0.79 PRKCA (0.39) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853713-B1 Process for the isolation of polyhydroxyalkanoates (PHAs) from bacterial cells by solvent extraction PHB IND SA (BR) 2012-05-02 EP disclosed
US-20120083563-A1 FINE-PARTICLE, CATIONIC, AQUEOUS POLYMER DISPERSIONS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF BASF SE (DE) 2012-04-05 US disclosed
US-8137725-B2 Organoleptically enhanced white chocolate MARS, INCORPORATED (US) 2012-03-20 US disclosed
EP-2387321-A2 ORGANOLEPTICALLY ENHANCED WHITE CHOCOLATE Mars, Incorporated (US) 2011-11-23 EP disclosed
WO-2011002298-A2 ANIMAL FEED OR HUMAN FOOD FOR IMPROVING INTESTINAL BARRIER PROPERTIES NUTRECO NEDERLAND B.V. (NL) 2011-01-06 WO disclosed
EP-2269472-A1 Animal feed for improving intestinal barrier properties Nutreco Nederland B.V. (NL) 2011-01-05 EP disclosed