SCHEMBL18614743

SCHEMBL18614743

CC(O)C=O.CCC(=O)OP(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.36
CA4 P22748 1/20 0.32
LPAR1 Q92633 7/20 0.31
LPAR4 Q99677 3/20 0.31
LPAR5 Q9H1C0 3/20 0.31
LPAR2 Q9HBW0 3/20 0.31
LPAR3 Q9UBY5 3/20 0.31
ENPP2 Q13822 3/20 0.31
LPAR6 P43657 2/20 0.31
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
CES2 O00748 1/20 0.30
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL414813 0.83
SCHEMBL27836415 0.81 CA4 (0.42) CA4LPAR1LPAR2LPAR3
Ammonia Solution, Strong SCHEMBL29088821 0.81 CA4 (0.42) CA4LPAR1LPAR2LPAR3
SCHEMBL27987543 0.81 CA4 (0.48) CA4LPAR1LPAR2LPAR3
Propionic Acid SCHEMBL18614745 0.77 FFAR3 (0.48) CA4LPAR1LPAR2LPAR3PGK1
SCHEMBL18614744 0.74
SCHEMBL17200146 0.74 ALDH1A1 (0.52) CA4LPAR1LPAR4LPAR5LPAR2
SCHEMBL3473841 0.71 CA4 (0.37) CA4LPAR1LPAR4LPAR5LPAR2
SCHEMBL3473844 0.71 CA4 (0.37) CA4LPAR1LPAR4LPAR5LPAR2
SCHEMBL19329928 0.71 CA4 (0.37) CA4LPAR1LPAR4LPAR5LPAR2

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
EP-3347479-A1 ENZYMATIC PRODUCTION OF AN ACYL PHOSPHATE FROM A 2-HYDROXYALDEHYDE Scientist of Fortune S.A. (LU) 2018-07-18 EP disclosed
WO-2017042254-A1 ENZYMATIC PRODUCTION OF AN ACYL PHOSPHATE FROM A 2-HYDROXYALDEHYDE SCIENTIST OF FORTUNE S.A. (LU) 2017-03-16 WO disclosed