SCHEMBL9701607

SCHEMBL9701607

CCCCCCCCCCCCCCCCCC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 1.00
LAP3 P28838 2/20 0.63
S1PR2 O95136 5/20 0.57
S1PR1 P21453 5/20 0.57
S1PR3 Q99500 5/20 0.57
S1PR4 O95977 4/20 0.57
GGPS1 O95749 2/20 0.56
LPAR3 Q9UBY5 3/20 0.56
LPAR2 Q9HBW0 1/20 0.56
SMPD1 P17405 2/20 0.55

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
SCHEMBL9701672 1.00 FDPS (1.00) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL2475297 1.00 FDPS (1.00) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL9702776 1.00 FDPS (1.00) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL4732847 1.00 FDPS (1.00) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL8334357 1.00 FDPS (1.00) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL12821817 1.00 FDPS (1.00) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL2474085 1.00 FDPS (1.00) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL9614565 1.00 FDPS (1.00) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL11496375 1.00 FDPS (1.00) FDPSLAP3S1PR2S1PR1S1PR3
SCHEMBL8470020 1.00 FDPS (1.00) FDPSLAP3S1PR2S1PR1S1PR3

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-0513760-A2 Use of biphosphonate squalene synthetase inhibitors in pharmaceutical compositions useful in lowering cholesterol E.R. SQUIBB & SONS, INC. (US) 1992-11-19 EP claimed
CN-101321824-A Flame retardant polymer composition 3M INNOVATIVE PROPERTIES CO (US) 2008-12-10 CN disclosed
EP-0513760-A2 Use of biphosphonate squalene synthetase inhibitors in pharmaceutical compositions useful in lowering cholesterol E.R. SQUIBB & SONS, INC. (US) 1992-11-19 EP disclosed