SCHEMBL7998419

SCHEMBL7998419

CCCOP(=O)(OCCC)C(CSCC(=O)O)P(=O)(OCCC)OCCC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MVD P53602 1/20 0.38
GMNN O75496 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
CYP2C9 P11712 1/20 0.37
BLM P54132 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP2D6 P10635 1/20 0.35
HIF1A Q16665 1/20 0.35
HMGCR P04035 1/20 0.35
PLA2G4B P0C869 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
HCAR2 Q8TDS4 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
SCHEMBL8002512 0.90 GMNN (0.42) MVDGMNNTP53POLBMAPT
SCHEMBL7882568 0.86 CYP2D6 (0.38) MVDGMNNTP53POLBMAPT
SCHEMBL7989596 0.79 CYP2D6 (0.41) MVDGMNNTP53POLBMAPT
SCHEMBL7990050 0.76 CYP2D6 (0.38) MVDGMNNTP53POLBMAPT
SCHEMBL7882574 0.70 MVD (0.38) MVDGMNNTP53POLBMAPT
SCHEMBL14445604 0.67 CYP3A4 (0.47)
SCHEMBL14865764 0.67 HSD17B10 (0.41) GMNNTP53POLBMAPTTHRB
SCHEMBL31522308 0.66 FDPS (0.45) HMGCRMEN1KMT2A
SCHEMBL8961301 0.66 HMGCR (0.36) HMGCRMEN1KMT2ALMNA
SCHEMBL4449824 0.65 LPAR5 (0.39) POLBHSD17B10HMGCRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944635-A4 DIPHOSPHONATE THERAPEUTIC COMPOUNDS ELIZANOR BIOPHARMACEUTICALS IN (US) 2000-07-05 EP claimed
EP-0944635-A1 DIPHOSPHONATE THERAPEUTIC COMPOUNDS Elizanor Biopharmaceuticals, Inc. (US) 1999-09-29 EP claimed
WO-1998015560-A1 DIPHOSPHONATE THERAPEUTIC COMPOUNDS ELIZANOR BIOPHARMACEUTICALS, INC. (US) 1998-04-16 WO claimed
EP-0944635-A4 DIPHOSPHONATE THERAPEUTIC COMPOUNDS ELIZANOR BIOPHARMACEUTICALS IN (US) 2000-07-05 EP disclosed
EP-0944635-A1 DIPHOSPHONATE THERAPEUTIC COMPOUNDS Elizanor Biopharmaceuticals, Inc. (US) 1999-09-29 EP disclosed
WO-1998015560-A1 DIPHOSPHONATE THERAPEUTIC COMPOUNDS ELIZANOR BIOPHARMACEUTICALS, INC. (US) 1998-04-16 WO disclosed