SCHEMBL7209780

SCHEMBL7209780

CCCCC(CC)C(=O)OOC(C)(C)CCC(C)(C)OOC(=O)C(CC)CCCC.CCCCC(CCCCC(C)(C)C)C(=O)OO

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.44
CA1 P00915 4/20 0.44
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.34
XBP1 P17861 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.32

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
SCHEMBL7175114 0.90 CA2 (0.40) CA2CA1MAPK1GAAXBP1
SCHEMBL57471 0.86 CA2 (0.58) CA2CA1MAPK1GAAXBP1
SCHEMBL10714547 0.85 CA2 (0.56) CA2CA1MAPK1GAAXBP1
Hydrogen Peroxide SCHEMBL15855960 0.85 CA2 (0.56) CA2CA1MAPK1GAAXBP1
SCHEMBL900354 0.85 CA2 (0.46) CA2CA1MAPK1GAAXBP1
SCHEMBL21081722 0.83 CA2 (0.50) CA2CA1MAPK1GAAXBP1
SCHEMBL12140593 0.82 CA2 (0.56) CA2CA1MAPK1GAAXBP1
SCHEMBL1240625 0.82 CA2 (0.42) CA2CA1MAPK1
SCHEMBL31511951 0.81 CA2 (0.43) CA2CA1MAPK1GAAXBP1
SCHEMBL32681423 0.81 CA2 (0.40) CA2CA1MAPK1GAAXBP1

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-1307493-A2 POLYMERIC COMPOSITIONS FOR FORMING OPTICAL WAVEGUIDES; OPTICAL WAVEGUIDES FORMED THEREFROM; AND METHODS FOR MAKING SAME Goodrich Corporation (US) 2003-05-07 EP disclosed
WO-2002010231-A2 POLYMERIC COMPOSITIONS FOR FORMING OPTICAL WAVEGUIDES; OPTICAL WAVEGUIDES FORMED THEREFROM; AND METHODS FOR MAKING SAME GOODRICH CORPORATION (US) 2002-02-07 WO disclosed