SCHEMBL8620187

SCHEMBL8620187

CCCc1ccc(Oc2ccc(CCCC(P(=O)(O)O)S(=O)(=O)O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 7/20 0.55
S1PR1 P21453 6/20 0.44
S1PR3 Q99500 4/20 0.44
S1PR4 O95977 3/20 0.44
S1PR5 Q9H228 2/20 0.44
S1PR2 O95136 2/20 0.44
ENPP2 Q13822 1/20 0.41
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41

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
SCHEMBL8623270 0.91 FDFT1 (0.69) FDFT1
SCHEMBL1237398 0.91 FDFT1 (0.69) FDFT1
SCHEMBL417999 0.90 FDFT1 (0.68) FDFT1
Potassium SCHEMBL418001 0.90 FDFT1 (0.68) FDFT1
SCHEMBL8622061 0.90 FDFT1 (0.49) FDFT1S1PR1S1PR3S1PR4S1PR5
SCHEMBL8623415 0.88 FDFT1 (0.63) FDFT1
SCHEMBL8620713 0.88 FDFT1 (0.54) FDFT1S1PR1S1PR3S1PR4S1PR2
SCHEMBL412160 0.87 FDFT1 (0.62) FDFT1
SCHEMBL8623094 0.86 ENPP2 (0.53) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL8623165 0.85 FDFT1 (0.62) 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 7 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
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 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