SCHEMBL8664208

SCHEMBL8664208

NP(=O)(O)OCC(O)CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
PGD P52209 2/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 1/20 0.35
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
LPAR5 Q9H1C0 2/20 0.33
MPI P34949 1/20 0.32
KDM4E B2RXH2 1/20 0.32
DUSP3 P51452 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
USP2 O75604 1/20 0.31
GABRR1 P24046 1/20 0.31
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31
LPAR6 P43657 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR4 Q99677 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31

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
SCHEMBL30717213 0.85 SMN1; SMN2 (0.40) SMN1; SMN2PGDLMNAALDH1A1PGK1
SCHEMBL28668152 0.84 SMN1; SMN2 (0.44) SMN1; SMN2PGDLMNAALDH1A1PGK1
SCHEMBL1134754 0.84 PGK1 (0.50) SMN1; SMN2PGDPGK1PGK2LPAR5
SCHEMBL27492663 0.84 PGK1 (0.50) SMN1; SMN2PGDPGK1PGK2LPAR5
Water SCHEMBL1568772 0.82 PGK1 (0.48) SMN1; SMN2PGDPGK1PGK2LPAR5
SCHEMBL7341 0.81 PGK1 (0.52) SMN1; SMN2PGDLMNAALDH1A1PGK1
SCHEMBL7340 0.81 PGK1 (0.52) SMN1; SMN2PGDLMNAALDH1A1PGK1
SCHEMBL6655023 0.81 PGK1 (0.52) SMN1; SMN2PGDLMNAALDH1A1PGK1
SCHEMBL12284729 0.81 SMN1; SMN2 (0.46) SMN1; SMN2PGDLMNAALDH1A1PGK1
SCHEMBL213379 0.81 PGK1 (0.52) SMN1; SMN2PGDLMNAALDH1A1PGK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0531452-A4 SYNTHESIS OF GLYCEROL DI- AND TRIPHOSPHATE DERIVATIVES 1993-06-09 EP claimed
EP-0531452-A1 SYNTHESIS OF GLYCEROL DI- AND TRIPHOSPHATE DERIVATIVES NeXstar Pharmaceuticals, Inc. (US) 1993-03-17 EP claimed
WO-1991018914-A1 SYNTHESIS OF GLYCEROL DI- AND TRIPHOSPHATE DERIVATIVES VICAL, INC. (US) 1991-12-12 WO claimed
CN-117043603-A Application of composition in preparation of medicines for diagnosing infantile hemangioma and/or monitoring progress and prognosis of infantile hemangioma, kit and medicines 江成鸿 2023-11-10 CN disclosed
US-5780617-A PHOSPHORYLATION OF A PHOSPHATIDES WITH A NUCLEOTIDES NEXSTAR PHARMACEUTICALS, INC. (US) 1998-07-14 US disclosed
EP-0531452-A4 SYNTHESIS OF GLYCEROL DI- AND TRIPHOSPHATE DERIVATIVES 1993-06-09 EP disclosed
EP-0531452-A1 SYNTHESIS OF GLYCEROL DI- AND TRIPHOSPHATE DERIVATIVES NeXstar Pharmaceuticals, Inc. (US) 1993-03-17 EP disclosed
WO-1991018914-A1 SYNTHESIS OF GLYCEROL DI- AND TRIPHOSPHATE DERIVATIVES VICAL, INC. (US) 1991-12-12 WO disclosed