SCHEMBL2932890

SCHEMBL2932890

CCCC(=O)OC[C@@H](O)COP(=O)(O)O

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 12/20 0.77
ENPP2 Q13822 8/20 0.77
LPAR3 Q9UBY5 6/20 0.77
LPAR4 Q99677 3/20 0.77
LPAR5 Q9H1C0 3/20 0.77
LPAR2 Q9HBW0 3/20 0.77
LPAR6 P43657 2/20 0.77
CES2 O00748 1/20 0.66
TRPV1 Q8NER1 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.52
P2RY10 O00398 1/20 0.52
GPR174 Q9BXC1 1/20 0.52
GPR34 Q9UPC5 1/20 0.52

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
SCHEMBL13176692 1.00 LPAR1 (0.77) LPAR1ENPP2LPAR3LPAR4LPAR5
SCHEMBL27784094 0.89 LPAR1 (0.97) LPAR1ENPP2LPAR3LPAR4LPAR5
SCHEMBL2932933 0.89 LPAR1 (0.97) LPAR1ENPP2LPAR3LPAR4LPAR5
SCHEMBL8508530 0.87 LPAR1 (1.00) LPAR1ENPP2LPAR3LPAR4LPAR5
SCHEMBL8509455 0.87 LPAR1 (1.00) LPAR1ENPP2LPAR3LPAR4LPAR5
SCHEMBL2935665 0.87 LPAR1 (1.00) LPAR1ENPP2LPAR3LPAR4LPAR5
SCHEMBL2935599 0.87 LPAR1 (1.00) LPAR1ENPP2LPAR3LPAR4LPAR5
SCHEMBL8509038 0.87 LPAR1 (1.00) LPAR1ENPP2LPAR3LPAR4LPAR5
SCHEMBL8736955 0.87 LPAR1 (1.00) LPAR1ENPP2LPAR3LPAR4LPAR5
SCHEMBL13043253 0.87 LPAR1 (1.00) LPAR1ENPP2LPAR3LPAR4LPAR5

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-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed