SCHEMBL8625379

SCHEMBL8625379

CCCc1ccccc1OC(Cc1ccccc1)CC(P(=O)(O)O)S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
LAP3 P28838 4/20 0.35
ANPEP P15144 3/20 0.35
ACP3 P15309 2/20 0.34
ERAP1 Q9NZ08 2/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
PPARG P37231 1/20 0.33
ERAP2 Q6P179 1/20 0.33
FDFT1 P37268 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
SCHEMBL8618813 0.94 PPARA (0.37) PPARALAP3ANPEPPPARGFDFT1
SCHEMBL8947039 0.90 LAP3 (0.36) LAP3ANPEPACP3ERAP1ERAP2
SCHEMBL8947013 0.89 HTR2A (0.35) LAP3ANPEPACP3ERAP1ERAP2
SCHEMBL8824820 0.87 LAP3 (0.33) PPARALAP3ANPEPACP3PPARG
SCHEMBL8947080 0.84 AKR1C3 (0.35) PPARALAP3ANPEPACP3PPARG
SCHEMBL8623433 0.84 SCN4A (0.39) PPARALAP3ANPEPACP3PPARG
SCHEMBL9167366 0.84 ADRA2C (0.38) HTR1AADRA2AADRA2BADRA2CLAP3
SCHEMBL8620802 0.83 PPARG (0.42) PPARAPPARGFDFT1
SCHEMBL8619900 0.83 PPARA (0.36) PPARAPPARG
SCHEMBL8623169 0.82 FDFT1 (0.40) PPARAPPARGFDFT1

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