SCHEMBL8711746

SCHEMBL8711746

NCCCC(P(=O)(O)O)S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
BLM P54132 2/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
PMP22 Q01453 1/20 0.44
APP P05067 1/20 0.39
ALDH1A1 P00352 3/20 0.37
GABBR2 O75899 3/20 0.37
GABBR1 Q9UBS5 3/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
THPO P40225 1/20 0.37
FDPS P14324 4/20 0.35
ANPEP P15144 2/20 0.35
ERAP2 Q6P179 1/20 0.34
PDE3A Q14432 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8717511 0.89 LMNA (0.41) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL253253 0.78 FDPS (0.56) FDPS
SCHEMBL1815322 0.74 FDPS (0.61) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL3228691 0.72 LAP3 (0.44) FDPS
SCHEMBL7108948 0.72 APP (0.46) LMNABLMPMP22APPALDH1A1
SCHEMBL11359987 0.70 LAP3 (0.61) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL16237440 0.70 LMNA (0.50) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL8600008 0.70 FDPS (0.60) LMNABLMCYP3A4NFKB1PMP22
SCHEMBL4729598 0.70 APP (0.44) LMNABLMPMP22APPALDH1A1
SCHEMBL7028928 0.68 TP53 (0.43) LMNABLMPMP22APP

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 4 patents. 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
US-5731299-A OSTEOPOROSIS; RHEUMATOID ARTHRITIS THE PROCTER & GAMBLE COMPANY (US) 1998-03-24 US disclosed
EP-0642518-A1 PHOSPHONOSULFONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMACEUTICALS (US) 1995-03-15 EP disclosed
WO-1993024495-A1 PHOSPHONOSULFONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1993-12-09 WO disclosed