SCHEMBL7858717

SCHEMBL7858717

CCOC(=O)C(O)(C(CC)(CC)n1ccnc1)P(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.38
GGPS1 O95749 3/20 0.37
LMNA P02545 2/20 0.37
BTN3A1 O00481 1/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
TBXAS1 P24557 7/20 0.33
CYP26A1 O43174 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MITF O75030 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 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
SCHEMBL3278701 0.74 TBXAS1 (0.44) LMNATBXAS1CYP26A1SMN1; SMN2KDM4E
SCHEMBL10468128 0.71 CYP4F2 (0.36) FDPSLMNAMMP8SMN1; SMN2KDM4E
SCHEMBL28492515 0.70 ALDH1A1 (0.39) FDPSLMNAMMP8SMN1; SMN2KDM4E
SCHEMBL28498240 0.70 ALDH1A1 (0.39) FDPSLMNAMMP8SMN1; SMN2KDM4E
SCHEMBL27750522 0.68 CYP11B1 (0.48) LMNACA2TBXAS1CYP26A1SMN1; SMN2
SCHEMBL4904932 0.65 FDPS (0.50) FDPSGGPS1LMNABTN3A1CA12
SCHEMBL4123167 0.65 TBXAS1 (0.48) LMNATBXAS1SMN1; SMN2KDM4EMEN1
SCHEMBL7858714 0.64 FDPS (0.47) FDPSGGPS1LMNABTN3A1CA12
SCHEMBL4803854 0.64 FDPS (0.44) FDPSGGPS1LMNABTN3A1CA12
SCHEMBL11448112 0.63 CYP17A1 (0.42) FDPSGGPS1LMNABTN3A1CA12

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-0788362-B1 PHOSPONOCARBOXYLATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMA (US) 2001-07-25 EP 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
WO-1993024131-A1 PHOSPONOCARBOXYLATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1993-12-09 WO disclosed