SCHEMBL27504160

SCHEMBL27504160

CCCCCCCC/C=C\CCCCCCCC(=O)C(OP(=O)(O)O)C(O)CO

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 8/20 0.50
ENPP2 Q13822 4/20 0.50
LPAR3 Q9UBY5 3/20 0.50
LPAR2 Q9HBW0 3/20 0.50
LPAR4 Q99677 2/20 0.50
LPAR5 Q9H1C0 2/20 0.50
CES2 O00748 1/20 0.50
LPAR6 P43657 1/20 0.50
TRPV1 Q8NER1 1/20 0.50
S1PR1 P21453 1/20 0.49
DGKA P23743 1/20 0.49
PLA2G4A P47712 1/20 0.47
FABP3 P05413 5/20 0.47
DEGS1 O15121 1/20 0.46

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
SCHEMBL7454857 1.00 LPAR1 (0.50) LPAR1ENPP2LPAR3LPAR2LPAR4
Monoethanolamine SCHEMBL27676043 0.94 LPAR3 (0.46) LPAR1ENPP2LPAR3LPAR2LPAR4
SCHEMBL9367572 0.92 PTPN1 (0.48) LPAR1ENPP2LPAR3LPAR2LPAR4
SCHEMBL9362645 0.92 PTPN1 (0.48) LPAR1ENPP2LPAR3LPAR2LPAR4
SCHEMBL9362627 0.92 PTPN1 (0.48) LPAR1ENPP2LPAR3LPAR2LPAR4
SCHEMBL27627196 0.92 PTPN1 (0.48) LPAR1ENPP2LPAR3LPAR2LPAR4
Serine SCHEMBL28842014 0.91 P2RY10 (0.49)
SCHEMBL5245031 0.87 DGKA (0.44) LPAR1ENPP2LPAR3LPAR2LPAR4
Monoethanolamine SCHEMBL27656115 0.86 PTPN1 (0.46) LPAR1ENPP2LPAR3LPAR2LPAR4
SCHEMBL4755172 0.85 S1PR1 (0.47) LPAR1ENPP2LPAR3LPAR2LPAR4

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
CN-1192766-C Method for developing, testing and using associates of macromolecules and complex aggregates for improved payload and controllable De/association rates IDED INNOVATIVE DERMALE APPLIK (DE) 2005-03-16 CN claimed
CN-1283107-A Methods of developing, testing and using complexes of macromolecules and complex aggregates for improved payload and controllable dissociation/association rates IDED INNOVATIVE DERMALE APPLIK (DE) 2001-02-07 CN claimed