SCHEMBL1404263

SCHEMBL1404263

CCCCC(CC)C(CCCC)OOC(=O)OC(CCCC)C(CC)CCCC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.36
CA1 P00915 4/20 0.36
MAPK1 P28482 1/20 0.35
TSHR P16473 2/20 0.33
CTSK P43235 1/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PRKCA P17252 1/20 0.31
PRKCD Q05655 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
SCHEMBL1404257 0.97 CA2 (0.34) CA2CA1MAPK1CTSK
SCHEMBL1404264 0.83 CA2 (0.38) CA2CA1MAPK1TSHRCTSK
SCHEMBL5185206 0.83 CA2 (0.41) CA2CA1MAPK1TSHRCYP3A4
SCHEMBL2516488 0.83 CA2 (0.42) CA2CA1
SCHEMBL4726041 0.80 CA2 (0.39) CA2CA1MAPK1
SCHEMBL1404258 0.80 CA2 (0.36) CA2CA1MAPK1
SCHEMBL1404265 0.77 CA2 (0.39) CA2CA1MAPK1TSHRCYP3A4
SCHEMBL28456703 0.76 CA2 (0.41) CA2CA1MAPK1
SCHEMBL2516490 0.75 GPR84 (0.43) CA2MAPK1
SCHEMBL1404259 0.74 CA2 (0.37) CA2CA1MAPK1

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
EP-2291430-A1 METHODS FOR BRANCHING PHA USING THERMOLYSIS METABOLIX, INC. (US) 2011-03-09 EP claimed
WO-2010008447-A1 METHODS FOR BRANCHING PHA USING THERMOLYSIS METABOLIX, INC. (US) 2010-01-21 WO claimed