SCHEMBL8620033

SCHEMBL8620033

CC(C)=CCCCOc1ccc(CCCC(P(=O)(O)O)S(=O)(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.40
S1PR4 O95977 3/20 0.39
S1PR5 Q9H228 3/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR2 O95136 1/20 0.39
FDFT1 P37268 2/20 0.37
FFAR1 O14842 1/20 0.34

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
SCHEMBL8624285 0.88 FDFT1 (0.37) S1PR1S1PR4S1PR5S1PR3S1PR2
SCHEMBL8620662 0.81 FFAR1 (0.50) S1PR1S1PR3FDFT1FFAR1
SCHEMBL8618472 0.79 S1PR1 (0.40) S1PR1S1PR4S1PR5S1PR3S1PR2
SCHEMBL8618467 0.79 S1PR1 (0.40) S1PR1S1PR4S1PR5S1PR3S1PR2
SCHEMBL8621143 0.79 S1PR1 (0.58) S1PR1S1PR4S1PR5S1PR3S1PR2
SCHEMBL8619882 0.79 S1PR1 (0.49) S1PR1S1PR4S1PR5S1PR3S1PR2
SCHEMBL8618406 0.77 LTA4H (0.50) FFAR1
SCHEMBL8620187 0.76 FDFT1 (0.55) S1PR1S1PR4S1PR5S1PR3S1PR2
SCHEMBL8622061 0.76 FDFT1 (0.49) S1PR1S1PR4S1PR5S1PR3S1PR2
SCHEMBL8947010 0.75 S1PR1 (0.36) S1PR1S1PR4S1PR5S1PR3S1PR2

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