SCHEMBL8625231

SCHEMBL8625231

O=P(O)(O)C(CC(Cc1ccccc1)Oc1cccc2ccccc12)S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 6/20 0.47
PSMB5 P28074 1/20 0.42
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
LAP3 P28838 3/20 0.37
ANPEP P15144 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
BTN3A1 O00481 2/20 0.35

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
SCHEMBL8623433 0.85 SCN4A (0.39) ACP3PPARGPPARALAP3ANPEP
SCHEMBL8623547 0.84 MRGPRX4 (0.36) ACP3PSMB5PPARAMRGPRX4LAP3
SCHEMBL8620463 0.84 FDFT1 (0.38) ACP3PPARGPPARALAP3ANPEP
SCHEMBL8619819 0.83 LAP3 (0.43) ACP3PPARGPPARALAP3ANPEP
SCHEMBL8618892 0.83 LAP3 (0.43) ACP3PPARGPPARALAP3ANPEP
SCHEMBL8621232 0.83 LAP3 (0.43) ACP3PPARGPPARALAP3ANPEP
SCHEMBL8621703 0.81 PPARG (0.51) ACP3PPARGPPARAMRGPRX4LAP3
SCHEMBL8625379 0.81 PPARA (0.38) ACP3PPARGPPARALAP3ANPEP
SCHEMBL9167366 0.80 ADRA2C (0.38) ACP3KDM4EALDH1A1LAP3ANPEP
SCHEMBL8947039 0.80 LAP3 (0.36) ACP3ALDH1A1LAP3ANPEP

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