SCHEMBL6794240

SCHEMBL6794240

N#CCOP(=O)(O)O.N#CCOP(=O)(O)O.N#CCOP(=O)(O)O.[KH].[KH].[KH].[KH].[KH].[KH].[KH]

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TPI1 P60174 2/20 0.34
LPAR3 Q9UBY5 4/20 0.33
LPAR2 Q9HBW0 3/20 0.33
LPAR1 Q92633 2/20 0.33
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
FBP1 P09467 1/20 0.32
FDPS P14324 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PGD P52209 2/20 0.31
MPI P34949 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
SCHEMBL4670278 0.97
Ammonia Solution, Strong SCHEMBL10847788 0.95 TPI1 (0.34) TPI1LPAR3LPAR2LPAR1PGK1
Phosphoric Acid SCHEMBL7714297 0.95 TPI1 (0.34) TPI1LPAR3LPAR2LPAR1PGK1
Potassium Ion SCHEMBL5807703 0.95 TPI1 (0.34) TPI1LPAR3LPAR2LPAR1PGK1
Ammonia Solution, Strong SCHEMBL4523855 0.95 TPI1 (0.34) TPI1LPAR3LPAR2LPAR1PGK1
Ammonia Solution, Strong SCHEMBL3330065 0.95
Potassium Ion SCHEMBL5803916 0.84 SLC34A1 (0.32)
SCHEMBL4892596 0.83 LPAR3 (0.35) LPAR3LPAR2LPAR1FBP1FDPS
Butylamine SCHEMBL9405028 0.78 LPAR3 (0.44) LPAR3LPAR2LPAR1FDPS
SCHEMBL14118485 0.77

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-20040116709-A1 Process for producing optically active n-aryl-1-amino-2-propanol derivatives KANEKA CORPORATION (JP) 2004-06-17 US disclosed