SCHEMBL8619853

SCHEMBL8619853

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

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 18/20 0.49
PPARG P37231 17/20 0.49
ACP3 P15309 1/20 0.39
ANPEP P15144 1/20 0.38
LAP3 P28838 1/20 0.38

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
SCHEMBL8619819 0.91 LAP3 (0.43) PPARAPPARGACP3ANPEPLAP3
SCHEMBL8618892 0.91 LAP3 (0.43) PPARAPPARGACP3ANPEPLAP3
SCHEMBL8621232 0.91 LAP3 (0.43) PPARAPPARGACP3ANPEPLAP3
SCHEMBL8624054 0.88 ALDH1A1 (0.41) PPARAPPARGACP3
SCHEMBL8626353 0.88 PPARG (0.49) PPARAPPARGACP3ANPEPLAP3
SCHEMBL8620141 0.88 PPARG (0.46) PPARAPPARGACP3ANPEPLAP3
SCHEMBL8619979 0.88 PPARG (0.49) PPARAPPARGACP3ANPEPLAP3
SCHEMBL8625334 0.87 PPARG (0.53) PPARAPPARG
SCHEMBL8620802 0.85 PPARG (0.42) PPARAPPARG
SCHEMBL8621703 0.85 PPARG (0.51) PPARAPPARGACP3ANPEPLAP3

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