SCHEMBL8621143

SCHEMBL8621143

CCCCCc1ccc(OCCCCCCC(P(=O)(O)O)S(=O)(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.58
S1PR3 Q99500 12/20 0.57
S1PR4 O95977 9/20 0.57
S1PR2 O95136 8/20 0.57
S1PR5 Q9H228 5/20 0.57
LPAR2 Q9HBW0 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
CASP1 P29466 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SLCO1B3 Q9NPD5 1/20 0.50
SLCO1B1 Q9Y6L6 1/20 0.50
ENPP2 Q13822 1/20 0.50

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
SCHEMBL8619882 0.93 S1PR1 (0.49) S1PR1S1PR3S1PR4S1PR2S1PR5
SCHEMBL8620898 0.87 ENPP2 (0.60) S1PR1S1PR3S1PR4S1PR2S1PR5
SCHEMBL8620776 0.86 S1PR1 (0.46) S1PR1S1PR3S1PR4S1PR2S1PR5
SCHEMBL8623094 0.85 ENPP2 (0.53) S1PR1S1PR3S1PR4S1PR2S1PR5
SCHEMBL8621086 0.82 FDFT1 (0.56) S1PR1S1PR3S1PR4S1PR2LPAR2
SCHEMBL8620662 0.81 FFAR1 (0.50) S1PR1S1PR3
SCHEMBL8620187 0.80 FDFT1 (0.55) S1PR1S1PR3S1PR4S1PR2S1PR5
SCHEMBL8624761 0.80 S1PR1 (0.44) S1PR1S1PR3S1PR4S1PR2S1PR5
SCHEMBL8621425 0.80 FDFT1 (0.50) S1PR1S1PR3S1PR4S1PR2LPAR2
SCHEMBL8620033 0.79 S1PR1 (0.40) S1PR1S1PR3S1PR4S1PR2S1PR5

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