SCHEMBL8618340

SCHEMBL8618340

CCCc1ccc(CCC/C(C)=C/CCCC(P(=O)(O)O)S(=O)(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.37
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 2/20 0.37
S1PR2 O95136 1/20 0.37
S1PR4 O95977 1/20 0.37
FDFT1 P37268 1/20 0.36

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
SCHEMBL8618348 1.00 ENPP2 (0.37) ENPP2S1PR1S1PR3S1PR2S1PR4
SCHEMBL8623981 0.94 ENPP2 (0.35) ENPP2
SCHEMBL8623984 0.94 ENPP2 (0.35) ENPP2
SCHEMBL8624092 0.89 LSS (0.40) S1PR1S1PR3S1PR2S1PR4
SCHEMBL8624098 0.89 LSS (0.40) S1PR1S1PR3S1PR2S1PR4
SCHEMBL8622877 0.87 FDFT1 (0.34) S1PR1S1PR3S1PR2S1PR4FDFT1
SCHEMBL8622881 0.87 FDFT1 (0.34) S1PR1S1PR3S1PR2S1PR4FDFT1
SCHEMBL8622789 0.86 S1PR2 (0.41) S1PR1S1PR3S1PR2S1PR4
SCHEMBL8622799 0.86 S1PR2 (0.41) S1PR1S1PR3S1PR2S1PR4
SCHEMBL8625187 0.85 FDFT1 (0.39) FDFT1

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