SCHEMBL8620802

SCHEMBL8620802

CCCc1ccc(OC(Cc2ccccc2)CC(P(=O)(O)O)S(=O)(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.42
PPARA Q07869 14/20 0.42
FFAR1 O14842 1/20 0.39
FDFT1 P37268 1/20 0.37
MMP2 P08253 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 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
SCHEMBL8623169 0.89 FDFT1 (0.40) PPARGPPARAFDFT1
SCHEMBL8618892 0.88 LAP3 (0.43) PPARGPPARAFDFT1
SCHEMBL8621232 0.88 LAP3 (0.43) PPARGPPARAFDFT1
SCHEMBL8619819 0.88 LAP3 (0.43) PPARGPPARAFDFT1
SCHEMBL8620141 0.87 PPARG (0.46) PPARGPPARA
SCHEMBL8619979 0.87 PPARG (0.49) PPARGPPARAMMP2MMP9MMP13
SCHEMBL8626353 0.85 PPARG (0.49) PPARGPPARA
SCHEMBL8619853 0.85 PPARA (0.49) PPARGPPARA
SCHEMBL8625379 0.83 PPARA (0.38) PPARGPPARAFDFT1
SCHEMBL8623374 0.82 PPARG (0.40) PPARGPPARAFFAR1FDFT1

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