SCHEMBL5033117

SCHEMBL5033117

CC(C)CCOC(=O)CC(C)COC(=O)CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.41
PRKCA P17252 2/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
MAPK1 P28482 2/20 0.34
PKM P14618 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.33
EP300 Q09472 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
SCHEMBL113763 0.88 CYP19A1 (0.49) CYP19A1PRKCACA12CA1CA2
SCHEMBL901332 0.88 CYP19A1 (0.49) CYP19A1PRKCACA12CA1CA2
SCHEMBL5033127 0.85 PRKCA (0.39) PRKCAMMP1MMP2MMP3MMP9
SCHEMBL5033123 0.84 PRKCA (0.42) PRKCACA2TDP1MMP1MMP2
SCHEMBL5035224 0.82 NAAA (0.43) PRKCAMAPK1ALDH1A1
SCHEMBL23036805 0.82 ALOX15 (0.44) CYP19A1PRKCACA2TDP1MMP1
3-Methylbutanoic Acid SCHEMBL5033115 0.81 CYP19A1 (0.44) CYP19A1CA12CA1CA2CA9
SCHEMBL5028703 0.79 MMP1 (0.44) PRKCACA2TDP1MMP1MMP2
SCHEMBL467275 0.79 MMP1 (0.42) PRKCATDP1MMP1MMP2MMP3
SCHEMBL3859719 0.78 BLM (0.48) CYP19A1MMP1MMP2MMP3MMP9

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