SCHEMBL8623547

SCHEMBL8623547

O=P(O)(O)C(CC(Cc1ccccc1)Oc1cccc(Cl)c1Cl)S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.36
LAP3 P28838 3/20 0.35
ANPEP P15144 1/20 0.35
ACP3 P15309 5/20 0.35
HTR1D P28221 2/20 0.33
PPARA Q07869 1/20 0.33
ACP1 P24666 1/20 0.33
PTPN12 Q05209 1/20 0.33
PTPN13 Q12923 1/20 0.33
SSU72 Q9NP77 1/20 0.33
SFN P31947 1/20 0.33
PKM P14618 1/20 0.33
PSMB5 P28074 1/20 0.32

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
SCHEMBL8625231 0.84 ACP3 (0.47) MRGPRX4LAP3ANPEPACP3PPARA
SCHEMBL8623433 0.83 SCN4A (0.39) LAP3ANPEPACP3PPARA
SCHEMBL8620463 0.82 FDFT1 (0.38) LAP3ANPEPACP3PPARA
SCHEMBL8624054 0.81 ALDH1A1 (0.41) ACP3PPARA
SCHEMBL8618892 0.81 LAP3 (0.43) LAP3ANPEPACP3PPARA
SCHEMBL8621232 0.81 LAP3 (0.43) LAP3ANPEPACP3PPARA
SCHEMBL8619819 0.81 LAP3 (0.43) LAP3ANPEPACP3PPARA
SCHEMBL8619853 0.81 PPARA (0.49) LAP3ANPEPACP3PPARA
SCHEMBL8625334 0.80 PPARG (0.53) MRGPRX4PPARA
SCHEMBL8625379 0.79 PPARA (0.38) LAP3ANPEPACP3PPARA

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