SCHEMBL8002512

SCHEMBL8002512

CCCCOP(=O)(OCCCC)C(CSCC(=O)O)P(=O)(OCCCC)OCCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GMNN O75496 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
BLM P54132 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 2/20 0.40
PLA2G4B P0C869 2/20 0.39
GAA P10253 1/20 0.37
MVD P53602 1/20 0.36
LPAR3 Q9UBY5 3/20 0.36
LPAR1 Q92633 2/20 0.36
LPAR2 Q9HBW0 2/20 0.36
HCAR2 Q8TDS4 1/20 0.33
ATM Q13315 1/20 0.33
CYP2D6 P10635 1/20 0.33
HIF1A Q16665 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL7998419 0.90 MVD (0.38) GMNNTP53POLBMAPTTHRB
SCHEMBL7882568 0.83 CYP2D6 (0.38) GMNNTP53POLBMAPTTHRB
SCHEMBL14445604 0.78 CYP3A4 (0.47) CYP3A4GAALPAR3LPAR1LPAR2
SCHEMBL7989596 0.76 CYP2D6 (0.41) GMNNTP53POLBMAPTTHRB
SCHEMBL7990050 0.73 CYP2D6 (0.38) GMNNTP53POLBMAPTTHRB
SCHEMBL19595699 0.72 CYP3A4 (0.56) CYP3A4GAALPAR3LPAR1LPAR2
SCHEMBL11799423 0.68 CYP3A4 (0.47) CYP3A4GAALPAR3LPAR1LPAR2
SCHEMBL10831955 0.68 CYP3A4 (0.56) CYP3A4GAALPAR3LPAR1LPAR2
SCHEMBL4449162 0.68 CYP3A4 (0.56) CYP3A4GAALPAR3LPAR1LPAR2
Phosphoric Acid SCHEMBL4891241 0.68 GMNN (0.44) GMNNTP53POLBMAPTTHRB

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-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