SCHEMBL8778196

SCHEMBL8778196

O=P(O)(O)C(O)(CC1CNCC(CCS)C1)P(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.36
PDE3A Q14432 2/20 0.32
LMNA P02545 1/20 0.32
ADRB3 P13945 1/20 0.32
PDE4D Q08499 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
SCHEMBL8778190 0.81 FDPS (0.38) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL9246112 0.81 FDPS (0.41) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL8778360 0.75 FDPS (0.33) FDPS
SCHEMBL8778384 0.73 FDPS (0.36) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL9806687 0.71 FDPS (0.49) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL8701605 0.70 FDPS (0.51) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL8706215 0.69 FDPS (0.50) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL8778166 0.69 FDPS (0.35) FDPS
SCHEMBL8778351 0.68 FDPS (0.34) FDPS
SCHEMBL9084564 0.67 FDPS (0.51) FDPSPDE3ALMNAADRB3PDE4D

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 3 patents. 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
EP-0648120-B1 USE OF PHOSPHONATES FOR THE TREATMENT OF OSTEOPOROSIS PROCTER & GAMBLE PHARMA (US) 1997-12-29 EP disclosed
WO-1994000130-A1 COMPOSITIONS FOR THE TREATMENT OF ARTHRITIS CONTAINING PHOSPHONATES AND NSAIDS PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1994-01-06 WO disclosed