SCHEMBL6669236

SCHEMBL6669236

CC(C)(C)OP(=O)(O)C(O)(CCCN)P(=O)(O)O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 18/20 0.63
PDE3A Q14432 2/20 0.63
LMNA P02545 1/20 0.47
ADRB3 P13945 1/20 0.47
PDE4D Q08499 1/20 0.47
GGPS1 O95749 6/20 0.43
GABBR2 O75899 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
THPO P40225 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34

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
SCHEMBL6665485 0.89 FDPS (0.61) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL177948 0.84 FDPS (0.66) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL8050464 0.82 FDPS (0.68) FDPSPDE3ALMNAADRB3PDE4D
Alendronic Acid SCHEMBL18898 0.79 FDPS (1.00) FDPSPDE3ALMNAADRB3PDE4D
Alendronic Acid SCHEMBL6270347 0.79 FDPS (1.00) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL2178802 0.79 FDPS (0.63) FDPSPDE3ALMNAADRB3PDE4D
Alendronic Acid SCHEMBL7920174 0.78 FDPS (0.80) FDPSPDE3ALMNAADRB3PDE4D
Alendronic Acid SCHEMBL19614558 0.77 FDPS (0.95) FDPSPDE3ALMNAADRB3PDE4D
Alendronic Acid SCHEMBL4646147 0.77 FDPS (0.95) FDPSPDE3ALMNAADRB3PDE4D
Alendronic Acid SCHEMBL579001 0.77 FDPS (0.95) 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-0831845-B1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 2004-09-08 EP disclosed
US-5854227-A Therapeutic derivatives of diphosphonates ELIZANOR BIOPHARMACUETICALS, INC. 1998-12-29 US disclosed
WO-1996040156-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed