SCHEMBL18744459

SCHEMBL18744459

C/C=C\CC(=O)OC[C@@H](O)COP(=O)(O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 12/20 0.58
ENPP2 Q13822 6/20 0.58
LPAR5 Q9H1C0 4/20 0.58
LPAR4 Q99677 3/20 0.58
LPAR2 Q9HBW0 3/20 0.58
LPAR3 Q9UBY5 3/20 0.58
LPAR6 P43657 2/20 0.58
CES2 O00748 1/20 0.58
TRPV1 Q8NER1 1/20 0.58
P2RY10 O00398 3/20 0.41
GPR174 Q9BXC1 3/20 0.41
GPR34 Q9UPC5 3/20 0.41

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
SCHEMBL14407661 0.87 DGKA (0.41) LPAR1ENPP2LPAR5LPAR4LPAR2
SCHEMBL6348381 0.82 LPAR1 (0.53) LPAR1ENPP2LPAR5LPAR4LPAR2
SCHEMBL20078088 0.79 LPAR1 (0.81) LPAR1ENPP2LPAR5LPAR4LPAR2
SCHEMBL2932890 0.79 LPAR1 (0.77) LPAR1ENPP2LPAR5LPAR4LPAR2
SCHEMBL13176692 0.79 LPAR1 (0.77) LPAR1ENPP2LPAR5LPAR4LPAR2
SCHEMBL19960604 0.78 LPAR1 (0.67) LPAR1ENPP2LPAR5LPAR4LPAR2
SCHEMBL2867416 0.78 LPAR1 (0.50) LPAR1ENPP2LPAR5LPAR4LPAR2
SCHEMBL14058714 0.76 LPAR1 (0.63) LPAR1ENPP2LPAR5LPAR4LPAR2
SCHEMBL27784094 0.75 LPAR1 (0.97) LPAR1ENPP2LPAR5LPAR4LPAR2
SCHEMBL2932933 0.75 LPAR1 (0.97) LPAR1ENPP2LPAR5LPAR4LPAR2

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-9622993-B2 Thiosemicarbazones inhibitors of lysophosphatidic acid acyltransferase and uses thereof H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-04-18 US disclosed