SCHEMBL8778141

SCHEMBL8778141

O=P(O)(O)C(O)(CC1CCNCC1S)P(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.44
PDE3A Q14432 2/20 0.32
LMNA P02545 1/20 0.32
ADRB3 P13945 1/20 0.32
PDE4D Q08499 1/20 0.32
GGPS1 O95749 2/20 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
SCHEMBL8778195 0.83 FDPS (0.43) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL9241339 0.76 FDPS (0.49) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL9244507 0.76 FDPS (0.45) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL9806687 0.76 FDPS (0.49) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL8778286 0.72 FDPS (0.46) FDPS
SCHEMBL9084564 0.72 FDPS (0.51) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL8701605 0.71 FDPS (0.51) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL8706215 0.70 FDPS (0.50) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL8778247 0.68 FDPS (0.33) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL8778332 0.67 KDM4E (0.31)

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