SCHEMBL8619900

SCHEMBL8619900

CCCCc1ccccc1OC(Cc1ccccc1)CC(P(=O)(OCC)OCC)S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
PPARG P37231 1/20 0.34
CETP P11597 3/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33

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 0.90 PPARA (0.37) PPARAPTGESALOX5PPARGCETP
SCHEMBL8625379 0.83 PPARA (0.38) PPARAPPARG
SCHEMBL8624260 0.83 POLB (0.41) PPARAPOLBGAAPPARG
SCHEMBL8947039 0.78 LAP3 (0.36) GAA
SCHEMBL8824820 0.78 LAP3 (0.33) PPARAPPARG
SCHEMBL8947013 0.78 HTR2A (0.35)
SCHEMBL8824800 0.76 PTPN1 (0.39) PPARACETP
SCHEMBL8619897 0.74 FDFT1 (0.54)
SCHEMBL8619968 0.73 POLB (0.47) POLBGAA
SCHEMBL8618692 0.73 THRA (0.35) PPARAPOLBPPARGTHRATHRB

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 4 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 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