SCHEMBL8626353

SCHEMBL8626353

O=P(O)(O)C(CC(Cc1ccccc1)Oc1ccc(F)cc1)S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.49
PPARA Q07869 11/20 0.49
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
LAP3 P28838 4/20 0.38
ANPEP P15144 2/20 0.38
GPR34 Q9UPC5 1/20 0.37
ACP3 P15309 1/20 0.37
PTPN1 P18031 1/20 0.36

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
SCHEMBL8621232 0.91 LAP3 (0.43) PPARGPPARALAP3ANPEPACP3
SCHEMBL8619819 0.91 LAP3 (0.43) PPARGPPARALAP3ANPEPACP3
SCHEMBL8618892 0.91 LAP3 (0.43) PPARGPPARALAP3ANPEPACP3
SCHEMBL8619979 0.88 PPARG (0.49) PPARGPPARACA12CA9CA14
SCHEMBL8620141 0.88 PPARG (0.46) PPARGPPARALAP3ANPEPACP3
SCHEMBL8619853 0.88 PPARA (0.49) PPARGPPARALAP3ANPEPACP3
SCHEMBL8624712 0.87 PPARG (0.53) PPARGPPARALAP3ANPEPGPR34
SCHEMBL8620802 0.85 PPARG (0.42) PPARGPPARA
SCHEMBL8621703 0.85 PPARG (0.51) PPARGPPARALAP3ANPEPACP3
SCHEMBL8625334 0.83 PPARG (0.53) PPARGPPARA

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