SCHEMBL19960604

SCHEMBL19960604

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

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 12/20 0.67
ENPP2 Q13822 7/20 0.67
LPAR5 Q9H1C0 4/20 0.67
LPAR4 Q99677 3/20 0.67
LPAR2 Q9HBW0 3/20 0.67
LPAR3 Q9UBY5 3/20 0.67
LPAR6 P43657 2/20 0.67
CES2 O00748 1/20 0.57
TRPV1 Q8NER1 1/20 0.57
PGK1 P00558 1/20 0.50
PGK2 P07205 1/20 0.50

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 0.86 LPAR1 (0.77) LPAR1ENPP2LPAR5LPAR4LPAR2
SCHEMBL2932890 0.86 LPAR1 (0.77) LPAR1ENPP2LPAR5LPAR4LPAR2
SCHEMBL9463770 0.84 KDM4E (0.47) LPAR1ENPP2LPAR5LPAR4LPAR2
SCHEMBL2932933 0.82 LPAR1 (0.97) LPAR1ENPP2LPAR5LPAR4LPAR2
SCHEMBL27784094 0.82 LPAR1 (0.97) LPAR1ENPP2LPAR5LPAR4LPAR2
SCHEMBL4572575 0.81 LPAR1 (0.57) LPAR1ENPP2LPAR5LPAR4LPAR2
SCHEMBL2935219 0.81 LPAR1 (0.57) LPAR1ENPP2LPAR5LPAR4LPAR2
SCHEMBL13043253 0.80 LPAR1 (1.00) LPAR1ENPP2LPAR5LPAR4LPAR2
SCHEMBL8736955 0.80 LPAR1 (1.00) LPAR1ENPP2LPAR5LPAR4LPAR2
SCHEMBL2936577 0.80 LPAR1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9952231-B2 Lysophosphatidic acid detection PORTLAND STATE UNIVERSITY (US) 2018-04-24 US disclosed
US-20180071716-A1 ENRICHMENT OF LYSOPHOSPHATIDIC ACIDS WITH TEMPLATED POLYMERIC MATERIALS PORTLAND STATE UNIVERSITY (US) 2018-03-15 US disclosed