SCHEMBL28051142

SCHEMBL28051142

C=CCOC(CO)CO.O=P(O)(O)OCC(O)CO

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.38
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
LPAR5 Q9H1C0 2/20 0.35
PGD P52209 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LPAR2 Q9HBW0 2/20 0.33
LPAR3 Q9UBY5 2/20 0.33
LPAR1 Q92633 3/20 0.33
LPAR6 P43657 1/20 0.33
LPAR4 Q99677 1/20 0.33
ENPP2 Q13822 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
S1PR1 P21453 1/20 0.32

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
SCHEMBL5500723 0.85 CA1 (0.42) MPIPGK1PGK2LPAR5PGD
SCHEMBL28528617 0.80 CA1 (0.38) SMN1; SMN2LPAR3LPAR1CA1CA2
SCHEMBL7341 0.79 PGK1 (0.52) MPIPGK1PGK2LPAR5PGD
SCHEMBL14278848 0.79 PGK1 (0.52) MPIPGK1PGK2LPAR5PGD
SCHEMBL213379 0.79 PGK1 (0.52) MPIPGK1PGK2LPAR5PGD
SCHEMBL6655023 0.79 PGK1 (0.52) MPIPGK1PGK2LPAR5PGD
SCHEMBL7340 0.79 PGK1 (0.52) MPIPGK1PGK2LPAR5PGD
SCHEMBL14278847 0.79 PGK1 (0.52) MPIPGK1PGK2LPAR5PGD
Glycerin SCHEMBL170148 0.78 LPAR2 (0.40) MPIPGK1PGK2LPAR5PGD
SCHEMBL4112816 0.77 PGK1 (0.50) MPIPGK1PGK2LPAR5PGD

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
CN-105263896-A Conversion of free fatty acids to ethyl esters AURORA BIOFUELS INC 2016-01-20 CN disclosed