SCHEMBL8778167

SCHEMBL8778167

C[n+]1cccnc1CC(O)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 17/20 0.50
BTN3A1 O00481 1/20 0.42
PDE3A Q14432 1/20 0.42
HDAC8 Q9BY41 3/20 0.38
GGPS1 O95749 1/20 0.37

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
Hydrochloric Acid SCHEMBL8467219 1.00 FDPS (0.50) FDPSBTN3A1PDE3AHDAC8GGPS1
Hydrochloric Acid SCHEMBL9178149 0.85 FDPS (0.44) FDPSHDAC8GGPS1
SCHEMBL8778369 0.83 HDAC8 (0.37) FDPSHDAC8GGPS1
Hydrochloric Acid SCHEMBL8465765 0.83 HDAC8 (0.37) FDPSHDAC8GGPS1
Hydrochloric Acid SCHEMBL8468478 0.73 FDPS (0.49) FDPSHDAC8GGPS1
SCHEMBL3796346 0.72 FDPS (0.62) FDPSBTN3A1PDE3AGGPS1
SCHEMBL8389149 0.71 FDPS (0.54) FDPSBTN3A1PDE3AGGPS1
SCHEMBL8778420 0.71 FDPS (0.40) FDPSHDAC8GGPS1
Hydrochloric Acid SCHEMBL8467874 0.71 FDPS (0.40) FDPSHDAC8GGPS1
SCHEMBL15915091 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648120-B1 USE OF PHOSPHONATES FOR THE TREATMENT OF OSTEOPOROSIS PROCTER & GAMBLE PHARMA (US) 1997-12-29 EP claimed