SCHEMBL8712186

SCHEMBL8712186

CN1CCCC(OP(=O)(O)CCS(=O)(=O)O)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.34
HTT P42858 2/20 0.34
CYP2D6 P10635 1/20 0.34
POLB P06746 1/20 0.34
CHRM1 P11229 3/20 0.34
CHRM3 P20309 3/20 0.34
CHRM2 P08172 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
CHRM5 P08912 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL18379267 0.76 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1HTTCYP2D6POLB
SCHEMBL14565210 0.76 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1HTTCYP2D6POLB
SCHEMBL9225828 0.74 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1HTTCYP2D6POLB
SCHEMBL31470602 0.66 INPP5A (0.41) SMN1; SMN2CHRM1CHRM3MEN1KMT2A
SCHEMBL22479228 0.66 INPP5A (0.41) SMN1; SMN2CHRM1CHRM3MEN1KMT2A
SCHEMBL28725576 0.65 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1HTTCYP2D6POLB
SCHEMBL23175194 0.65 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1HTTCYP2D6POLB
SCHEMBL3749371 0.65 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1HTTCYP2D6POLB
SCHEMBL23160556 0.65 INPP5A (0.40) SMN1; SMN2L3MBTL1HTTCYP2D6CHRM1
SCHEMBL23160555 0.65 INPP5A (0.40) SMN1; SMN2L3MBTL1HTTCYP2D6CHRM1

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