SCHEMBL3473841

SCHEMBL3473841

C[C@H](O)CC(=O)OP(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.37
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
PEPD P12955 1/20 0.33
PGD P52209 2/20 0.32
LPAR6 P43657 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR4 Q99677 1/20 0.31
LPAR5 Q9H1C0 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
LPAR3 Q9UBY5 1/20 0.31
ENPP2 Q13822 1/20 0.31
LAP3 P28838 2/20 0.31
ALDH1A1 P00352 1/20 0.30
MMP1 P03956 1/20 0.30
MMP8 P22894 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
SCHEMBL3473844 1.00 CA4 (0.37) CA4PGK1PGK2PEPDPGD
SCHEMBL19329928 1.00 CA4 (0.37) CA4PGK1PGK2PEPDPGD
SCHEMBL3473839 0.84 MAPT (0.31)
SCHEMBL17606430 0.84 MMP1 (0.42) CA4PEPDLAP3ALDH1A1MMP1
SCHEMBL16094426 0.84 MAPT (0.31)
SCHEMBL16093956 0.84 BTN3A1 (0.35) PGK1PGK2LPAR1LPAR3
SCHEMBL17423808 0.81 CA4 (0.40) CA4PGK1PGK2PEPDPGD
SCHEMBL17281367 0.80 CA4 (0.41) CA4LAP3ALDH1A1
SCHEMBL16093955 0.80
SCHEMBL5789749 0.79 CA4 (0.37) CA4PGK1PGK2PGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176415-B1 PREPARING METHOD FOR (S)-3-HYDROXYBUTYRIC ACID AND (S)-3-HYDROXYBUTYRATE ESTER USING RECOMBINANT MICROORGANISM LG CHEMICAL LTD (KR) 2014-05-07 EP disclosed
US-8535918-B2 Preparing method for (S)-3hydroxybutyric acid and (S)-3 hydroxybutyrate ester using recombinant microorganism LG CHEM, LTD. (KR) 2013-09-17 US disclosed
US-20100209983-A1 PREPARING METHOD FOR (S)-3HYDROXYBUTYRIC ACID AND (S)-3 HYDROXYBUTYRATE ESTER USING RECOMBINANT MICROORGANISM LG-CHEM, LTD. (KR) 2010-08-19 US disclosed
EP-2176415-A1 PREPARING METHOD FOR (S)-3-HYDROXYBUTYRIC ACID AND (S)-3-HYDROXYBUTYRATE ESTER USING RECOMBINANT MICROORGANISM LG Chem. Ltd. (KR) 2010-04-21 EP disclosed
WO-2009020279-A1 PREPARING METHOD FOR (S)-3-HYDROXYBUTYRIC ACID AND (S)-3-HYDROXYBUTYRATE ESTER USING RECOMBINANT MICROORGANISM LG CHEM, LTD. (KR) 2009-02-12 WO disclosed