Calcium

Calcium

SCHEMBL9801896

CNCCOP(=O)(O)O.CNCCOP(=O)(O)O.[Ca]

nearest known ligand 0.45

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 8/20 0.45
LPAR2 Q9HBW0 7/20 0.45
LPAR1 Q92633 5/20 0.45
ENPP2 Q13822 1/20 0.38
TPI1 P60174 1/20 0.37
SAT1 P21673 1/20 0.33
S1PR2 O95136 2/20 0.32
S1PR4 O95977 2/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL637889 0.98
Magnesium SCHEMBL9802275 0.95 LPAR3 (0.45) LPAR3LPAR2LPAR1ENPP2TPI1
SCHEMBL17754006 0.84 LPAR3 (0.54) LPAR3LPAR2LPAR1ENPP2TPI1
SCHEMBL2734614 0.81
SCHEMBL10599366 0.80 LPAR3 (0.61) LPAR3LPAR2LPAR1ENPP2S1PR2
SCHEMBL10240866 0.77 PLA2G2A (0.37) SAT1S1PR2S1PR4S1PR1S1PR3
SCHEMBL17859165 0.77 LPAR3 (0.44) LPAR3LPAR2LPAR1ENPP2TPI1
SCHEMBL13431174 0.76 PPARD (0.42) LPAR3LPAR2LPAR1SAT1S1PR2
SCHEMBL17758486 0.76 LPAR2 (0.45) LPAR3LPAR2LPAR1ENPP2TPI1
SCHEMBL13941965 0.75

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-5068228-A Nervous system disorders KOEHLER GERNOT (DE) 1991-11-26 US disclosed