SCHEMBL8623374

SCHEMBL8623374

CCc1cccc(OC(Cc2ccccc2)CC(P(=O)(O)O)S(=O)(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FDFT1 P37268 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 2/20 0.37
CETP P11597 1/20 0.37
KAT6A Q92794 1/20 0.37
LAP3 P28838 3/20 0.36
ANPEP P15144 2/20 0.36
FFAR1 O14842 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
SCHEMBL8623169 0.91 FDFT1 (0.40) PPARGPPARAFDFT1CETPKAT6A
SCHEMBL8625112 0.90 PPARG (0.43) PPARGPPARAFDFT1KDM4EALDH1A1
SCHEMBL8626363 0.89 MTNR1A (0.42) PPARGPPARAGAA
SCHEMBL8619819 0.88 LAP3 (0.43) PPARGPPARAFDFT1LAP3ANPEP
SCHEMBL8618892 0.88 LAP3 (0.43) PPARGPPARAFDFT1LAP3ANPEP
SCHEMBL8621232 0.88 LAP3 (0.43) PPARGPPARAFDFT1LAP3ANPEP
SCHEMBL8624054 0.88 ALDH1A1 (0.41) PPARGPPARAFDFT1ALDH1A1
SCHEMBL8624712 0.87 PPARG (0.53) PPARGPPARAFDFT1LAP3ANPEP
SCHEMBL8621703 0.84 PPARG (0.51) PPARGPPARAPOLBCETPLAP3
SCHEMBL8947070 0.84 PPARG (0.56) PPARGPPARAFDFT1KDM4EALDH1A1

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