SCHEMBL11089217

SCHEMBL11089217

CCCCCCCCCCCCCCCCC(CSCC(COP(=O)(O)O)OC)OC

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.57
LPAR3 Q9UBY5 8/20 0.50
LPAR1 Q92633 7/20 0.50
SGPL1 O95470 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LPAR5 Q9H1C0 4/20 0.44
LPAR6 P43657 3/20 0.44
LPAR4 Q99677 3/20 0.44
LPAR2 Q9HBW0 3/20 0.44
SMPD1 P17405 1/20 0.44

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
SCHEMBL11083114 0.91 LPAR3 (0.61) ENPP2LPAR3LPAR1LPAR5LPAR6
SCHEMBL9797511 0.88 ENPP2 (0.66) ENPP2LPAR3LPAR1SGPL1SMN1; SMN2
SCHEMBL11087950 0.87 ENPP2 (0.58) ENPP2LPAR3LPAR1SMN1; SMN2LPAR5
SCHEMBL8677600 0.87 ENPP2 (0.58) ENPP2LPAR3LPAR1SMN1; SMN2LPAR5
SCHEMBL11078070 0.87 ENPP2 (0.58) ENPP2LPAR3LPAR1SMN1; SMN2LPAR5
SCHEMBL11082144 0.87 ENPP2 (0.52) ENPP2LPAR3LPAR1SGPL1SMN1; SMN2
SCHEMBL11090082 0.84 ENPP2 (0.50) ENPP2LPAR3LPAR1SGPL1SMN1; SMN2
SCHEMBL11087305 0.83 LPAR3 (0.53) ENPP2LPAR3LPAR1LPAR2SMPD1
SCHEMBL11089856 0.83 ENPP2 (0.54) ENPP2LPAR3LPAR1SGPL1SMN1; SMN2
Phosphoric Acid SCHEMBL11089195 0.82 SMPD1 (0.42) ENPP2SMPD1

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
US-4444766-A ANTITUMOR BOEHRINGER MANNHEIM GMBH (DE) 1984-04-24 US disclosed