SCHEMBL4752181

SCHEMBL4752181

CCCCCCCCCCCCCCCC(=O)C(O)(C(=O)CCCCCCCCCCCCCCC)C(O)COP(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.56
LPAR1 Q92633 8/20 0.56
LPAR3 Q9UBY5 7/20 0.56
LPAR5 Q9H1C0 4/20 0.56
LPAR4 Q99677 3/20 0.56
LPAR2 Q9HBW0 3/20 0.56
LPAR6 P43657 2/20 0.56
PLA2G4A P47712 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CES2 O00748 1/20 0.49
TRPV1 Q8NER1 1/20 0.49

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
SCHEMBL18315980 0.83 PLA2G2C (0.52)
SCHEMBL9957361 0.83 PLA2G2C (0.52)
Pyrophosphoric Acid SCHEMBL7264840 0.81 LPAR1 (0.42) ENPP2LPAR1LPAR3LPAR5LPAR4
Pyrophosphoric Acid SCHEMBL8723088 0.81 LPAR1 (0.42) ENPP2LPAR1LPAR3LPAR5LPAR4
Phosphorylethanolamine SCHEMBL993264 0.80 LPAR3 (0.44) ENPP2LPAR1LPAR3LPAR5LPAR4
Phosphoric Acid SCHEMBL1664876 0.80 FAAH (0.44) CES2
Phosphoric Acid SCHEMBL7807537 0.80 FAAH (0.44) CES2
Phosphoric Acid SCHEMBL28471288 0.80 FAAH (0.44) CES2
Phosphoric Acid SCHEMBL28324933 0.80 FAAH (0.44) CES2
Phosphorylethanolamine SCHEMBL19412013 0.79 LPAR3 (0.42) ENPP2LPAR1LPAR3LPAR5LPAR4

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
WO-2008140203-A1 PHOSPHOLIPID NANOSPHERES FOR SOLUBILIZATION OF DITERPENOID ALKALOID AND PREPARATION KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-20 WO claimed
WO-2008140203-A1 PHOSPHOLIPID NANOSPHERES FOR SOLUBILIZATION OF DITERPENOID ALKALOID AND PREPARATION KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-11-20 WO disclosed