SCHEMBL8621086

SCHEMBL8621086

CCCCCc1ccc(-c2ccc(CCCC(P(=O)(O)O)S(=O)(=O)O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 2/20 0.56
ENPP2 Q13822 1/20 0.54
S1PR1 P21453 7/20 0.51
S1PR3 Q99500 7/20 0.51
S1PR2 O95136 6/20 0.51
S1PR4 O95977 3/20 0.51
LPAR2 Q9HBW0 1/20 0.51
RARB P10826 5/20 0.49
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RARA P10276 1/20 0.48
MAPT P10636 1/20 0.48
MTOR P42345 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL8619964 0.96 FDFT1 (0.61) FDFT1ENPP2S1PR1S1PR3S1PR2
SCHEMBL413357 0.94 FDFT1 (0.60) FDFT1ENPP2S1PR1S1PR3S1PR2
SCHEMBL8620898 0.94 ENPP2 (0.60) FDFT1ENPP2S1PR1S1PR3S1PR2
SCHEMBL8620713 0.93 FDFT1 (0.54) FDFT1ENPP2S1PR1S1PR3S1PR2
SCHEMBL8621425 0.92 FDFT1 (0.50) FDFT1ENPP2S1PR1S1PR3S1PR2
SCHEMBL8625390 0.90 FDFT1 (0.51) FDFT1ENPP2S1PR1S1PR3S1PR2
SCHEMBL1237801 0.87 FDFT1 (0.61) FDFT1
SCHEMBL413324 0.86 FDFT1 (0.60) FDFT1
SCHEMBL23752399 0.86 FDFT1 (0.60) FDFT1
SCHEMBL8620466 0.86 FDFT1 (0.46) FDFT1ENPP2S1PR1S1PR3S1PR2

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