SCHEMBL6514099

SCHEMBL6514099

O=C(O)NCCCCCCOP(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 7/20 0.52
LPAR2 Q9HBW0 7/20 0.52
LPAR1 Q92633 5/20 0.52
S1PR1 P21453 6/20 0.43
S1PR3 Q99500 6/20 0.43
S1PR2 O95136 5/20 0.43
S1PR5 Q9H228 4/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
ENPP2 Q13822 1/20 0.40

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
SCHEMBL19927107 1.00 LPAR3 (0.52) LPAR3LPAR2LPAR1S1PR1S1PR3
SCHEMBL19926726 1.00 LPAR3 (0.52) LPAR3LPAR2LPAR1S1PR1S1PR3
SCHEMBL23671717 0.92 LPAR3 (0.45) LPAR3LPAR2LPAR1S1PR1S1PR3
SCHEMBL21152326 0.85 CA12 (0.41) LPAR3LPAR2LPAR1S1PR1S1PR3
SCHEMBL3239278 0.84 LPAR2 (0.44) LPAR3LPAR2LPAR1S1PR1S1PR3
SCHEMBL11329860 0.83 KDM4E (0.59) LPAR3LPAR2LPAR1S1PR1S1PR3
SCHEMBL22906226 0.82 CA12 (0.42) LPAR3LPAR2LPAR1S1PR1S1PR3
SCHEMBL25358059 0.80 LPAR3 (0.47) LPAR3LPAR2LPAR1S1PR1S1PR3
SCHEMBL23451051 0.80 MEN1 (0.59) LPAR3LPAR2LPAR1S1PR1S1PR3
SCHEMBL9697062 0.80 LPAR3 (0.47) LPAR3LPAR2LPAR1S1PR1S1PR3

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-1572246-A2 NOVEL COMPOSITIONS OF MAGNETIC PARTICLES COVERED WITH GEM-BISPHOSPHONATE DERIVATIVES GUERBET (FR) 2005-09-14 EP disclosed
WO-2004058275-A2 COMPOSITIONS OF MAGNETIC PARTICLES COVERED WITH GEM-BISPHOSPHONATE DERIVATIVES GUERBET (FR) 2004-07-15 WO disclosed