SCHEMBL8712189

SCHEMBL8712189

CN1CCCC(C(CS(=O)(=O)O)P(=O)(O)O)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNB1 Q02641 1/20 0.33
CACNA1C Q13936 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 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
SCHEMBL9223043 0.74 S1PR1 (0.32) S1PR1S1PR3S1PR5
SCHEMBL8712184 0.70 METAP1 (0.33) SMN1; SMN2S1PR1S1PR3S1PR5
SCHEMBL23160555 0.66 INPP5A (0.40) SMN1; SMN2
SCHEMBL23160556 0.66 INPP5A (0.40) SMN1; SMN2
SCHEMBL18685936 0.65 CACNA2D1 (0.37) CACNA2D1CACNA1BCACNB1CACNA1CSMN1; SMN2
SCHEMBL8712186 0.64 SMN1; SMN2 (0.42) SMN1; SMN2
SCHEMBL7360357 0.63 CACNA2D1 (0.36) CACNA2D1CACNA1BCACNB1CACNA1CSMN1; SMN2
SCHEMBL23707078 0.63 CACNA2D1 (0.36) CACNA2D1CACNA1BCACNB1CACNA1CSMN1; SMN2
SCHEMBL6594713 0.63 CACNA2D1 (0.36) CACNA2D1CACNA1BCACNB1CACNA1CSMN1; SMN2
SCHEMBL12423921 0.63 CACNA2D1 (0.36) CACNA2D1CACNA1BCACNB1CACNA1CSMN1; SMN2

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
EP-0642518-B1 PHOSPHONOSULFONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMA (US) 1998-08-05 EP disclosed