SCHEMBL8389645

SCHEMBL8389645

CCCCCCCCCCCCCCCC[n+]1cccc(CCC(P(=O)(O)O)P(=O)(O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 9/20 0.64
▸ LMNA P02545 2/20 0.48
▸ HSP90AA1 P07900 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ RAD52 P43351 1/20 0.48
▸ APAF1 O14727 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ XBP1 P17861 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ FDPS P14324 4/20 0.47

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
Iodide SCHEMBL8706532 0.99 GGPS1 (0.63) GGPS1LMNAHSP90AA1HTTSMN1; SMN2
SCHEMBL8705848 0.99 GGPS1 (0.63) GGPS1LMNAHSP90AA1HTTSMN1; SMN2
SCHEMBL8707819 0.87 GGPS1 (0.60) GGPS1LMNAHSP90AA1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL8467992 0.86 GGPS1 (0.59) GGPS1LMNAHSP90AA1HTTSMN1; SMN2
SCHEMBL12257807 0.82 GGPS1 (0.86) GGPS1FDPS
SCHEMBL12060529 0.82 GGPS1 (0.86) GGPS1FDPS
SCHEMBL12060539 0.82 GGPS1 (0.86) GGPS1FDPS
SCHEMBL5290533 0.79 HDAC1 (0.61) GGPS1LMNAHTTSMN1; SMN2
SCHEMBL5308023 0.79 HDAC1 (0.61) GGPS1LMNAHTTSMN1; SMN2
SCHEMBL5302637 0.79 HDAC1 (0.57) LMNAHSP90AA1HTTSMN1; SMN2RAD52

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650361-B1 COMPOSITIONS FOR THE TREATMENT OF ARTHRITIS CONTAINING PHOSPHONATES AND NSAIDS PROCTER & GAMBLE PHARMA (US) 1999-04-28 — — EP claimed
US-5869471-A Methods for the treatment of arthritis using phosphonates and NSAIDS THE PROCTOR & GAMBLE COMPANY (US) 1999-02-09 — — US claimed
EP-0650361-A1 COMPOSITIONS FOR THE TREATMENT OF ARTHRITIS CONTAINING PHOSPHONATES AND NSAIDS PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1995-05-03 — — EP claimed
WO-1994000130-A1 COMPOSITIONS FOR THE TREATMENT OF ARTHRITIS CONTAINING PHOSPHONATES AND NSAIDS PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1994-01-06 — — WO claimed
EP-0650361-B1 COMPOSITIONS FOR THE TREATMENT OF ARTHRITIS CONTAINING PHOSPHONATES AND NSAIDS PROCTER & GAMBLE PHARMA (US) 1999-04-28 — — EP disclosed
EP-0646119-B1 QUATERNARY NITROGEN-CONTAINING PHOSPHONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM AS WELL AS DENTAL CALCULUS AND PLAQUE PROCTER & GAMBLE PHARMA (US) 1998-07-15 — — EP disclosed
EP-0849272-A1 Quaternary nitrogen-containing phosphonate compounds for treating abnormal calcium and phosphate metabolism as well as dental calculus and plaque Procter & Gamble Pharmaceuticals, Inc. (US) 1998-06-24 — — EP disclosed
US-5770586-A Quaternary nitrogen-containing phosphonate compounds, pharmaceutical compositions, and methods of treating abnormal calcium and phosphate metabolism amd methods of treating and preventing dental calculus and plaque THE PROCTER & GAMBLE COMPANY (US) 1998-06-23 — — US disclosed
EP-0646119-A1 QUATERNARY NITROGEN-CONTAINING PHOSPHONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM AS WELL AS DENTAL CALCULUS AND PLAQUE PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1995-04-05 — — EP disclosed
US-5391743-A Treating osteoporosis, rheumatoid arthritis, osteoarthritis PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1995-02-21 — — US disclosed
WO-1993024498-A1 QUATERNARY NITROGEN-CONTAINING PHOSPHONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM AS WELL AS DENTAL CALCULUS AND PLAQUE PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1993-12-09 — — WO disclosed
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