SCHEMBL7853015

SCHEMBL7853015

O=C(O)C(O)(Cn1ccnc1)P(=O)(O)O

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.66
GGPS1 O95749 3/20 0.64
BTN3A1 O00481 1/20 0.64
CA12 O43570 1/20 0.64
CA2 P00918 1/20 0.64
LMNA P02545 1/20 0.64
MMP2 P08253 1/20 0.64
MMP9 P14780 1/20 0.64
MMP8 P22894 1/20 0.64
MMP14 P50281 1/20 0.64
CA9 Q16790 1/20 0.64
CA14 Q9ULX7 1/20 0.64
ALDH1A1 P00352 1/20 0.47
EGLN3 Q9H6Z9 1/20 0.45
TBXAS1 P24557 9/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL7858695 0.84 FDPS (0.68) FDPSGGPS1BTN3A1CA12CA2
Zoledronic Acid Anhydrous SCHEMBL19054 0.80 FDPS (1.00) FDPSGGPS1BTN3A1CA12CA2
Zoledronic Acid Anhydrous SCHEMBL1586366 0.80 FDPS (1.00) FDPSGGPS1BTN3A1CA12CA2
Zoledronic Acid Anhydrous SCHEMBL1160625 0.78 FDPS (1.00) FDPSGGPS1BTN3A1CA12CA2
Zoledronic Acid Anhydrous SCHEMBL22534391 0.78 FDPS (0.96) FDPSGGPS1BTN3A1CA12CA2
Zoledronic Acid Anhydrous SCHEMBL515095 0.78 FDPS (0.96) FDPSGGPS1BTN3A1CA12CA2
Zoledronic Acid Anhydrous SCHEMBL1160616 0.78 FDPS (0.96) FDPSGGPS1BTN3A1CA12CA2
Zoledronic Acid Anhydrous SCHEMBL435847 0.78 FDPS (1.00) FDPSGGPS1BTN3A1CA12CA2
Zoledronic Acid Anhydrous SCHEMBL3180138 0.78 FDPS (0.96) FDPSGGPS1BTN3A1CA12CA2
Zoledronic Acid Anhydrous SCHEMBL1160460 0.78 FDPS (0.96) FDPSGGPS1BTN3A1CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788362-B1 PHOSPONOCARBOXYLATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMA (US) 2001-07-25 EP disclosed
CN-1224018-A Phosphonic carboxylate compounds, pharmaceutical compositions contg. same PROCTER & GAMBLE PHARMA (US) 1999-07-28 CN disclosed
US-5760021-A TREATING OR PREVENTING METABOLIC BONE DISORDERS THE PROCTER & GAMBLE COMPANY (US) 1998-06-02 US disclosed
EP-0788362-A1 PHOSPONOCARBOXYLATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1997-08-13 EP disclosed
CN-1089613-A Phosphonocarboxylate compounds and pharmaceutical compositions containing the same PROCTER & GAMBLE PHARMA (US) 1994-07-20 CN disclosed
WO-1993024131-A1 PHOSPONOCARBOXYLATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1993-12-09 WO disclosed