SCHEMBL8624712

SCHEMBL8624712

O=P(O)(O)C(CC(Cc1ccccc1)Oc1cccc(F)c1)S(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.53
PPARA Q07869 4/20 0.53
GPR34 Q9UPC5 2/20 0.41
FDFT1 P37268 3/20 0.39
LMNA P02545 1/20 0.38
PIN1 Q13526 1/20 0.37
ANPEP P15144 1/20 0.36
LAP3 P28838 1/20 0.36
CNR2 P34972 2/20 0.36
NR4A2 P43354 1/20 0.36
CNR1 P21554 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
SCHEMBL8621232 0.88 LAP3 (0.43) PPARGPPARAFDFT1PIN1ANPEP
SCHEMBL8618892 0.88 LAP3 (0.43) PPARGPPARAFDFT1PIN1ANPEP
SCHEMBL8619819 0.88 LAP3 (0.43) PPARGPPARAFDFT1PIN1ANPEP
SCHEMBL8625112 0.88 PPARG (0.43) PPARGPPARAFDFT1LMNAPIN1
SCHEMBL8624054 0.88 ALDH1A1 (0.41) PPARGPPARAFDFT1CNR2CNR1
SCHEMBL8626353 0.87 PPARG (0.49) PPARGPPARAGPR34ANPEPLAP3
SCHEMBL8626363 0.87 MTNR1A (0.42) PPARGPPARALMNA
SCHEMBL8623374 0.87 PPARG (0.40) PPARGPPARAFDFT1ANPEPLAP3
SCHEMBL8947070 0.86 PPARG (0.56) PPARGPPARAFDFT1NR4A2
SCHEMBL8623169 0.85 FDFT1 (0.40) PPARGPPARAFDFT1

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