SCHEMBL5028703

SCHEMBL5028703

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

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
PRKCA P17252 4/20 0.43
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA2 P00918 1/20 0.31

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
SCHEMBL5033123 0.86 PRKCA (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL127431 0.83 MMP1 (0.58) MMP1MMP2MMP3MMP9MMP13
SCHEMBL27713861 0.81 MMP1 (0.56) MMP1MMP2MMP3MMP9MMP13
Ammonia Solution, Strong SCHEMBL8684701 0.81 MMP1 (0.56) MMP1MMP2MMP3MMP9MMP13
Bromide SCHEMBL28174465 0.81 MMP1 (0.56) MMP1MMP2MMP3MMP9MMP13
SCHEMBL5147195 0.81 MMP1 (0.56) MMP1MMP2MMP3MMP9MMP13
SCHEMBL28320992 0.81 MMP1 (0.56) MMP1MMP2MMP3MMP9MMP13
SCHEMBL28334927 0.81 MMP1 (0.56) MMP1MMP2MMP3MMP9MMP13
SCHEMBL27808658 0.81 MMP1 (0.56) MMP1MMP2MMP3MMP9MMP13
SCHEMBL467275 0.80 MMP1 (0.42) 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