SCHEMBL5670211

SCHEMBL5670211

CCCCCCCCC=CCCCCCCCC(=O)OCC(OC)OC

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.68
ENPP2 Q13822 4/20 0.66
LPAR3 Q9UBY5 4/20 0.64
RECQL P46063 1/20 0.64
BLM P54132 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
PRKCE Q02156 1/20 0.64
PRKCQ Q04759 1/20 0.64
PRKCD Q05655 1/20 0.64
PRKCA P17252 1/20 0.64
LPAR1 Q92633 9/20 0.62
LPAR4 Q99677 3/20 0.60
LPAR2 Q9HBW0 3/20 0.60
LPAR5 Q9H1C0 2/20 0.60
CES2 O00748 1/20 0.60
LPAR6 P43657 1/20 0.60
TRPV1 Q8NER1 1/20 0.60
FAAH O00519 2/20 0.57

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
SCHEMBL5670209 1.00 DGKA (0.68) DGKAENPP2LPAR3RECQLBLM
SCHEMBL5668036 0.91 MAPT (0.66) DGKAENPP2LPAR3PRKCEPRKCQ
SCHEMBL5665286 0.89 MAPT (0.62) DGKAENPP2LPAR3TDP1PRKCE
SCHEMBL27013994 0.88 ENPP2 (0.82) DGKAENPP2LPAR3RECQLBLM
SCHEMBL18127295 0.88 PRKCA (0.72) DGKAENPP2LPAR3RECQLBLM
SCHEMBL13855468 0.87 DGKA (0.66) DGKAENPP2LPAR3RECQLBLM
SCHEMBL12438334 0.86 DGKA (0.73) DGKAENPP2LPAR3RECQLBLM
SCHEMBL2396742 0.86 DGKA (0.73) DGKAENPP2LPAR3RECQLBLM
SCHEMBL332986 0.86 DGKA (0.73) DGKAENPP2LPAR3RECQLBLM
SCHEMBL10655057 0.86 DGKA (0.73) DGKAENPP2LPAR3RECQLBLM

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
EP-1461041-A4 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD (BB) 2006-03-29 EP disclosed
EP-1461041-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES Pharmasset Ltd. (BB) 2004-09-29 EP disclosed
WO-2003051298-A2 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF ANTIVIRAL NUCLEOSIDES PHARMASSET LTD. (BB) 2003-06-26 WO disclosed