SCHEMBL8618692

SCHEMBL8618692

CCCCc1ccccc1OC(CC(P(=O)(O)O)S(=O)(=O)O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
PPARA Q07869 2/20 0.33
POLB P06746 1/20 0.33
ACP3 P15309 1/20 0.33
P2RY10 O00398 4/20 0.33
GPR34 Q9UPC5 1/20 0.33
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32
PPARG P37231 1/20 0.32
GPR174 Q9BXC1 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
SCHEMBL8623463 0.90 ACP3 (0.34) THRATHRBACP3
SCHEMBL8618813 0.83 PPARA (0.37) THRATHRBPPARAPPARG
SCHEMBL8620194 0.77 SLC6A4 (0.40) ACP3
SCHEMBL8625379 0.76 PPARA (0.38) PPARAACP3PPARG
SCHEMBL8623460 0.75 FDFT1 (0.44)
SCHEMBL8618690 0.74 FDFT1 (0.52)
SCHEMBL8619900 0.73 PPARA (0.36) THRATHRBPPARAPOLBPPARG
SCHEMBL8618807 0.73 FDFT1 (0.56)
SCHEMBL8619830 0.71 SLC6A2 (0.52) ACP3
SCHEMBL8622280 0.71 SLC6A2 (0.52) ACP3

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