SCHEMBL8623169

SCHEMBL8623169

CCCc1cccc(OC(Cc2ccccc2)CC(P(=O)(O)O)S(=O)(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 9/20 0.40
KAT6A Q92794 1/20 0.39
CETP P11597 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
ALOX5 P09917 1/20 0.36

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
SCHEMBL8623374 0.91 PPARG (0.40) FDFT1KAT6ACETPPPARGPPARA
SCHEMBL8620802 0.89 PPARG (0.42) FDFT1PPARGPPARA
SCHEMBL8625112 0.88 PPARG (0.43) FDFT1PPARGPPARA
SCHEMBL8626363 0.87 MTNR1A (0.42) PPARGPPARA
SCHEMBL8618892 0.86 LAP3 (0.43) FDFT1PPARGPPARA
SCHEMBL8621232 0.86 LAP3 (0.43) FDFT1PPARGPPARA
SCHEMBL8619819 0.86 LAP3 (0.43) FDFT1PPARGPPARA
SCHEMBL8624054 0.86 ALDH1A1 (0.41) FDFT1PPARGPPARA
SCHEMBL8624712 0.85 PPARG (0.53) FDFT1PPARGPPARA
SCHEMBL8621703 0.82 PPARG (0.51) CETPPPARGPPARA

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