SCHEMBL8622877

SCHEMBL8622877

CCCc1ccc(CCC/C(C)=C/CCCC(P(=O)(OCC)OCC)S(=O)(=O)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 2/20 0.34
S1PR2 O95136 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
S1PR4 O95977 1/20 0.33

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
SCHEMBL8622881 1.00 FDFT1 (0.34) FDFT1S1PR2S1PR1S1PR3S1PR4
SCHEMBL8625461 0.88 LSS (0.39)
SCHEMBL8625468 0.88 LSS (0.39)
SCHEMBL8618340 0.87 ENPP2 (0.37) FDFT1S1PR2S1PR1S1PR3S1PR4
SCHEMBL8618348 0.87 ENPP2 (0.37) FDFT1S1PR2S1PR1S1PR3S1PR4
SCHEMBL8626297 0.86 TRPV1 (0.38)
SCHEMBL8626302 0.86 TRPV1 (0.38)
SCHEMBL8619754 0.82 FDFT1 (0.50) FDFT1S1PR2S1PR1S1PR3S1PR4
SCHEMBL8623984 0.81 ENPP2 (0.35)
SCHEMBL8623981 0.81 ENPP2 (0.35)

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