SCHEMBL5485133

SCHEMBL5485133

O=C(COP(=O)(O)O)COP(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TPI1 P60174 2/20 0.56
▸ PGK1 P00558 1/20 0.42
▸ PGK2 P07205 1/20 0.42
▸ PGD P52209 3/20 0.39
▸ LPAR3 Q9UBY5 3/20 0.37
▸ LPAR1 Q92633 2/20 0.37
▸ LPAR2 Q9HBW0 2/20 0.37
▸ FDPS P14324 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ FBP1 P09467 1/20 0.36

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
SCHEMBL43277 0.86 TPI1 (0.50) TPI1PGK1PGK2PGDLPAR3
SCHEMBL2474974 0.86 TPI1 (0.50) TPI1PGK1PGK2PGDLPAR3
SCHEMBL28769882 0.84 TPI1 (0.48) TPI1PGK1PGK2PGDLPAR3
Water SCHEMBL28701484 0.84 TPI1 (0.48) TPI1PGK1PGK2PGDLPAR3
SCHEMBL29156118 0.84 TPI1 (0.48) TPI1PGK1PGK2PGDLPAR3
SCHEMBL8138239 0.84 TPI1 (0.48) TPI1PGK1PGK2PGDLPAR3
SCHEMBL7059626 0.84 TPI1 (0.48) TPI1PGK1PGK2PGDLPAR3
SCHEMBL28466527 0.84 TPI1 (0.48) TPI1PGK1PGK2PGDLPAR3
SCHEMBL1065797 0.84 TPI1 (0.48) TPI1PGK1PGK2PGDLPAR3
Hydrogen Peroxide SCHEMBL28079410 0.84 TPI1 (0.48) TPI1PGK1PGK2PGDLPAR3

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
US-20070298484-A1 Method and Device for Thermal Conditioning of a Cell INSILICO BIOTECHNOLOGY GMBH (DE) 2007-12-27 — — US disclosed
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