SCHEMBL8620463

SCHEMBL8620463

O=P(O)(O)C(CC(Cc1ccccc1)Oc1ccccc1Oc1ccccc1)S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 7/20 0.38
LAP3 P28838 4/20 0.38
PPARA Q07869 3/20 0.38
PPARG P37231 2/20 0.38
ANPEP P15144 2/20 0.38
ACP3 P15309 2/20 0.36
GAA P10253 1/20 0.34
PIN1 Q13526 1/20 0.33

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 0.88 LAP3 (0.43) FDFT1LAP3PPARAPPARGANPEP
SCHEMBL8618892 0.88 LAP3 (0.43) FDFT1LAP3PPARAPPARGANPEP
SCHEMBL8621232 0.88 LAP3 (0.43) FDFT1LAP3PPARAPPARGANPEP
SCHEMBL8623433 0.85 SCN4A (0.39) LAP3PPARAPPARGANPEPACP3
SCHEMBL8625231 0.84 ACP3 (0.47) LAP3PPARAPPARGANPEPACP3
SCHEMBL8626353 0.82 PPARG (0.49) LAP3PPARAPPARGANPEPACP3
SCHEMBL8623547 0.82 MRGPRX4 (0.36) LAP3PPARAANPEPACP3
SCHEMBL8625379 0.81 PPARA (0.38) FDFT1LAP3PPARAPPARGANPEP
SCHEMBL8624054 0.81 ALDH1A1 (0.41) FDFT1PPARAPPARGACP3
SCHEMBL8625112 0.81 PPARG (0.43) FDFT1PPARAPPARGACP3PIN1

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