SCHEMBL8618813

SCHEMBL8618813

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.37
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PPARG P37231 1/20 0.35
CETP P11597 4/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
LAP3 P28838 2/20 0.33
ANPEP P15144 1/20 0.33
FDFT1 P37268 1/20 0.33
MGLL Q99685 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
SCHEMBL8625379 0.94 PPARA (0.38) PPARAPPARGLAP3ANPEPFDFT1
SCHEMBL8619900 0.90 PPARA (0.36) PPARAPTGESALOX5PPARGCETP
SCHEMBL8947039 0.88 LAP3 (0.36) LAP3ANPEPFDFT1
SCHEMBL8947013 0.88 HTR2A (0.35) LAP3ANPEPFDFT1
SCHEMBL8824820 0.85 LAP3 (0.33) PPARAPPARGLAP3ANPEP
SCHEMBL8618692 0.83 THRA (0.35) PPARAPPARGTHRATHRB
SCHEMBL8947080 0.82 AKR1C3 (0.35) PPARAPPARGTHRBLAP3ANPEP
SCHEMBL8623433 0.82 SCN4A (0.39) PPARAPPARGLAP3ANPEP
SCHEMBL9167366 0.82 ADRA2C (0.38) LAP3ANPEP
SCHEMBL8620802 0.80 PPARG (0.42) 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 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