SCHEMBL8621703

SCHEMBL8621703

O=P(O)(O)C(CC(Cc1ccccc1)Oc1ccc2ccccc2c1)S(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.51
PPARA Q07869 6/20 0.51
PIN1 Q13526 2/20 0.42
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
PPARD Q03181 3/20 0.40
ACP3 P15309 2/20 0.39
PTPN7 P35236 1/20 0.38
F2 P00734 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37
CETP P11597 1/20 0.37
LAP3 P28838 2/20 0.37
ANPEP P15144 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 0.88 LAP3 (0.43) PPARGPPARAPIN1ACP3LAP3
SCHEMBL8619819 0.88 LAP3 (0.43) PPARGPPARAPIN1ACP3LAP3
SCHEMBL8618892 0.88 LAP3 (0.43) PPARGPPARAPIN1ACP3LAP3
SCHEMBL8625334 0.86 PPARG (0.53) PPARGPPARAMEN1KMT2AMRGPRX4
SCHEMBL8624054 0.85 ALDH1A1 (0.41) PPARGPPARAACP3
SCHEMBL8625112 0.85 PPARG (0.43) PPARGPPARAPIN1MEN1POLB
SCHEMBL8626353 0.85 PPARG (0.49) PPARGPPARAACP3LAP3ANPEP
SCHEMBL8619853 0.85 PPARA (0.49) PPARGPPARAACP3LAP3ANPEP
SCHEMBL8619979 0.85 PPARG (0.49) PPARGPPARAACP3LAP3ANPEP
SCHEMBL8620141 0.85 PPARG (0.46) PPARGPPARAMEN1KMT2AACP3

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