SCHEMBL8620902

SCHEMBL8620902

CCCCCCCC(CCC(P(=O)(O)O)S(=O)(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.42
FDPS P14324 3/20 0.40
NAAA Q02083 2/20 0.39
CETP P11597 3/20 0.38
LAP3 P28838 1/20 0.38
ENPP2 Q13822 1/20 0.38

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
SCHEMBL8620515 0.85 POLB (0.46) NR1I2NAAACETP
Phosphoric Acid SCHEMBL15475811 0.83 CETP (0.47) NR1I2FDPSNAAACETPLAP3
SCHEMBL8621511 0.83 ACP3 (0.48)
SCHEMBL8621567 0.80 FDPS (0.59) FDPSLAP3
SCHEMBL8620755 0.79 ACP3 (0.50) LAP3
SCHEMBL9641527 0.78 S1PR2 (0.48) NR1I2NAAA
SCHEMBL5400571 0.77 NR1I2 (0.47) NR1I2NAAA
SCHEMBL23849703 0.77 NR1I2 (0.49) NR1I2NAAA
SCHEMBL21633712 0.77 NR1I2 (0.49) NR1I2NAAA
SCHEMBL20291563 0.77 NR1I2 (0.49) NR1I2NAAA

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
US-5712396-A PHOSPHONOSULFONATE COMPOUNDS USED FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND ATHEROSCLEROSIS MAGNIN DAVID R (US) 1998-01-27 US claimed
EP-0595635-A1 Alpha-phosphorous substituted sulfonate derivatives as squalene synthetase inhibitors E.R. Squibb & Sons, Inc. (US) 1994-05-04 EP claimed
US-5712396-A PHOSPHONOSULFONATE COMPOUNDS USED FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND ATHEROSCLEROSIS MAGNIN DAVID R (US) 1998-01-27 US disclosed
US-5567841-A ANTICHOLESTEROL AGENT BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-22 US disclosed
US-5470845-A Methods of using α-phosphonosulfonate squalene synthetase inhibitors including the treatment of atherosclerosis and hypercholesterolemia BRISTOL-MYERS SQUIBB COMPANY (US) 1995-11-28 US disclosed
EP-0595635-A1 Alpha-phosphorous substituted sulfonate derivatives as squalene synthetase inhibitors E.R. Squibb & Sons, Inc. (US) 1994-05-04 EP disclosed