SCHEMBL8625112

SCHEMBL8625112

Cc1cccc(OC(Cc2ccccc2)CC(P(=O)(O)O)S(=O)(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.43
PPARA Q07869 4/20 0.43
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
ACP3 P15309 1/20 0.39
RECQL P46063 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
PIN1 Q13526 1/20 0.37
FDFT1 P37268 1/20 0.37
HPGD P15428 1/20 0.37
FFAR1 O14842 1/20 0.37

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 0.90 PPARG (0.40) PPARGPPARAKDM4EMAPK1POLB
SCHEMBL8626363 0.90 MTNR1A (0.42) PPARGPPARALMNAMEN1KMT2A
SCHEMBL8618892 0.89 LAP3 (0.43) PPARGPPARAACP3PIN1FDFT1
SCHEMBL8621232 0.89 LAP3 (0.43) PPARGPPARAACP3PIN1FDFT1
SCHEMBL8619819 0.89 LAP3 (0.43) PPARGPPARAACP3PIN1FDFT1
SCHEMBL8624054 0.89 ALDH1A1 (0.41) PPARGPPARAMAPTACP3ALDH1A1
SCHEMBL8620141 0.88 PPARG (0.46) PPARGPPARALMNAMAPTMEN1
SCHEMBL8623169 0.88 FDFT1 (0.40) PPARGPPARAFDFT1
SCHEMBL8624712 0.88 PPARG (0.53) PPARGPPARALMNAPIN1FDFT1
SCHEMBL8621703 0.85 PPARG (0.51) PPARGPPARAMEN1KMT2AACP3

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