SCHEMBL7860170

SCHEMBL7860170

CN1CCCC(CC(O)(C(=O)O)P(=O)(O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.39
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2D6 P10635 2/20 0.33
CYP3A4 P08684 1/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ACE P12821 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CCR2 P41597 1/20 0.31
KCNH2 Q12809 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
F2R P25116 1/20 0.30

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
SCHEMBL27675212 0.80 GFER (0.40) GFERCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8711893 0.75 ATM (0.32) GFERCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7858698 0.75 CYP1A2 (0.39) CHRNB2CHRNA4KCNH2
Iodide SCHEMBL7860080 0.72 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL7860079 0.72 CPN1 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4ATM
SCHEMBL15142807 0.70 SMN1; SMN2 (0.45) GFERCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL15142809 0.70 SMN1; SMN2 (0.45) GFERCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2607208 0.70 SMN1; SMN2 (0.45) GFERCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12449636 0.69 CHRM2 (0.39) GFERCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12369696 0.69 CHRM2 (0.39) GFERCHRNB2CHRNB4CHRNA3CHRNA4

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 8 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-1048017-C Phosphonocarboxylate compounds and pharmaceutical compositions containing the same PROCTER & GAMBLE PHARMA (US) 2000-01-05 CN disclosed
CN-1230409-A Phosphonocarboxylate compounds and pharmaceutical compositions containing the same PROCTER & GAMBLE PHARMA (US) 1999-10-06 CN 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