SCHEMBL8588658

SCHEMBL8588658

CC(C)(C)OP(=O)(O)C(O)(C(I)CN)P(=O)(O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.32
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
FDPS P14324 2/20 0.31
LMNA P02545 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
SCHEMBL8619867 0.87 GABBR2 (0.33) GABBR2GABBR1FDPSLMNA
SCHEMBL6663397 0.75 FDPS (0.38) FDPSLMNA
SCHEMBL6665485 0.67 FDPS (0.61) FDPSLMNA
SCHEMBL6674916 0.65 FDPS (0.41) GABBR2GABBR1FDPSLMNA
SCHEMBL6669236 0.64 FDPS (0.63) GABBR2GABBR1FDPSLMNA
SCHEMBL6667256 0.62 FDPS (0.39) FDPSLMNA
SCHEMBL13976468 0.62 LMNA (0.36) FDPSLMNA
SCHEMBL5054818 0.61 ANPEP (0.44) GABRR1GABBR2GABBR1FDPSLMNA
SCHEMBL8147759 0.61 FDPS (0.47) GABBR2GABBR1FDPSLMNA
SCHEMBL19101637 0.60 SMPD1 (0.31) FDPSLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831845-A4 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 1998-12-02 EP disclosed
EP-0831845-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS Elizanor Biopharmaceuticals, Inc. (US) 1998-04-01 EP disclosed