SCHEMBL8622304

SCHEMBL8622304

O=P(O)(O)C(CCCCc1ccc(Oc2ccccc2)cc1)S(=O)(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 10/20 0.58
FFAR1 O14842 1/20 0.46
S1PR2 O95136 1/20 0.45
S1PR4 O95977 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
MMP2 P08253 1/20 0.43
MMP8 P22894 1/20 0.43
MMP14 P50281 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 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
SCHEMBL8623415 0.96 FDFT1 (0.63) FDFT1FFAR1MMP12MMP13
SCHEMBL412160 0.95 FDFT1 (0.62) FDFT1FFAR1MMP12MMP13MMP8
SCHEMBL8624726 0.92 FDFT1 (0.54) FDFT1FFAR1MMP12MMP13MMP2
SCHEMBL8623336 0.89 FDFT1 (0.62) FDFT1
SCHEMBL8619710 0.86 S1PR2 (0.58) S1PR2S1PR4S1PR1S1PR3
SCHEMBL8625400 0.86 S1PR2 (0.58) S1PR2S1PR4S1PR1S1PR3
Potassium SCHEMBL414434 0.85 FDFT1 (0.65) FDFT1
SCHEMBL414432 0.85 FDFT1 (0.65) FDFT1
SCHEMBL8619815 0.85 FDFT1 (0.67) FDFT1
SCHEMBL8621227 0.85 FDFT1 (0.67) 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