SCHEMBL8618892

SCHEMBL8618892

O=P(O)(O)[C@H](CC(Cc1ccccc1)Oc1ccccc1)S(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 5/20 0.43
ANPEP P15144 2/20 0.43
ACP3 P15309 2/20 0.41
PPARG P37231 9/20 0.40
PPARA Q07869 8/20 0.40
PIN1 Q13526 1/20 0.37
FDFT1 P37268 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
SCHEMBL8621232 1.00 LAP3 (0.43) LAP3ANPEPACP3PPARGPPARA
SCHEMBL8619819 1.00 LAP3 (0.43) LAP3ANPEPACP3PPARGPPARA
SCHEMBL8619853 0.91 PPARA (0.49) LAP3ANPEPACP3PPARGPPARA
SCHEMBL8619979 0.91 PPARG (0.49) LAP3ANPEPACP3PPARGPPARA
SCHEMBL8626353 0.91 PPARG (0.49) LAP3ANPEPACP3PPARGPPARA
SCHEMBL8620141 0.91 PPARG (0.46) LAP3ANPEPACP3PPARGPPARA
SCHEMBL8625112 0.89 PPARG (0.43) ACP3PPARGPPARAPIN1FDFT1
SCHEMBL8624054 0.89 ALDH1A1 (0.41) ACP3PPARGPPARAFDFT1
SCHEMBL8620802 0.88 PPARG (0.42) PPARGPPARAFDFT1
SCHEMBL8626363 0.88 MTNR1A (0.42) 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 9 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-5618964-A Prodrug esters of phosphonosulfonate squalene synthetase inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-08 US disclosed
US-5610314-A Process for preparing dioxolenone derivatives used for making prodrug esters and intermediates BRISTOL-MYERS SQUIBB COMPANY (US) 1997-03-11 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