SCHEMBL5597304

SCHEMBL5597304

C=C(CCCCOCCCCCCCOP(=O)(O)O)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 13/20 0.47
LPAR1 Q92633 9/20 0.47
LPAR2 Q9HBW0 7/20 0.47
LPAR5 Q9H1C0 2/20 0.41
ENPP2 Q13822 6/20 0.39
LPAR6 P43657 1/20 0.39
LPAR4 Q99677 1/20 0.39

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
SCHEMBL12658401 0.96 LPAR3 (0.51) LPAR3LPAR1LPAR2LPAR5ENPP2
SCHEMBL1831610 0.87 LPAR3 (0.49) LPAR3LPAR1LPAR2LPAR5
SCHEMBL1631903 0.83 LPAR3 (0.40) LPAR3LPAR1LPAR2ENPP2
SCHEMBL5595161 0.82 LPAR3 (0.42) LPAR3LPAR1LPAR2LPAR5
SCHEMBL10600929 0.79 LPAR1 (0.54) LPAR3LPAR1LPAR2LPAR5ENPP2
SCHEMBL5595272 0.78 THRB (0.38) LPAR3LPAR1LPAR2
SCHEMBL1831246 0.78 THRB (0.38) LPAR3LPAR1LPAR2
SCHEMBL29048047 0.77 LPAR3 (0.59) LPAR3LPAR1LPAR2LPAR5ENPP2
SCHEMBL1831267 0.76 THRB (0.39) LPAR3LPAR1LPAR2
SCHEMBL1874945 0.75 LPAR3 (0.50) LPAR3LPAR1LPAR2LPAR5ENPP2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1548021-B1 One-part self-etching, self-priming dental adhesive composition DENTSPLY DETREY GMBH (DE) 2007-03-21 EP disclosed