SCHEMBL8625397

SCHEMBL8625397

CCCCCCCc1ccc(C=CCC(P(=O)(OCC)OCC)S(=O)(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.41
S1PR3 Q99500 13/20 0.41
S1PR4 O95977 10/20 0.41
S1PR2 O95136 9/20 0.41
ENPP2 Q13822 1/20 0.40
TNNC1 P63316 1/20 0.38
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
S1PR5 Q9H228 5/20 0.37

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
SCHEMBL8625391 1.00 S1PR1 (0.41) S1PR1S1PR3S1PR4S1PR2ENPP2
SCHEMBL8625440 0.96 FDFT1 (0.40) S1PR1S1PR3S1PR4S1PR2ENPP2
SCHEMBL8625446 0.96 FDFT1 (0.40) S1PR1S1PR3S1PR4S1PR2ENPP2
SCHEMBL8624889 0.89 EED (0.39) S1PR1S1PR3
SCHEMBL8624891 0.89 EED (0.39) S1PR1S1PR3
SCHEMBL8624984 0.88 EED (0.40)
SCHEMBL8624983 0.88 EED (0.40)
SCHEMBL8619749 0.86 ENPP2 (0.50) S1PR1S1PR3S1PR4S1PR2ENPP2
SCHEMBL8619747 0.86 ENPP2 (0.50) S1PR1S1PR3S1PR4S1PR2ENPP2
SCHEMBL8619951 0.86 PTPN1 (0.38) S1PR1S1PR3

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 3 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 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