SCHEMBL8624889

SCHEMBL8624889

CCOP(=O)(OCC)C(C/C=C/c1ccc(CCCc2ccccc2)cc1)S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.39
POLB P06746 1/20 0.38
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP24A1 Q07973 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
GAA P10253 1/20 0.35
S1PR1 P21453 2/20 0.35
S1PR3 Q99500 1/20 0.35
NAMPT P43490 1/20 0.35
NR1I2 O75469 1/20 0.34
LMNA P02545 2/20 0.34
AKR1B10 O60218 1/20 0.34
AKR1B1 P15121 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL8624891 1.00 EED (0.39) EEDPOLBPPARGPPARAMEN1
SCHEMBL8947181 0.91 EED (0.40) EEDPOLBPPARGPPARAMEN1
SCHEMBL8622272 0.91 EED (0.40) EEDPOLBPPARGPPARAMEN1
SCHEMBL8625391 0.89 S1PR1 (0.41) S1PR1S1PR3
SCHEMBL8625397 0.89 S1PR1 (0.41) S1PR1S1PR3
SCHEMBL8625440 0.87 FDFT1 (0.40) EEDMEN1KMT2AS1PR1S1PR3
SCHEMBL8625446 0.87 FDFT1 (0.40) EEDMEN1KMT2AS1PR1S1PR3
SCHEMBL8624983 0.86 EED (0.40) EEDPOLBPPARGPPARANPSR1
SCHEMBL8624984 0.86 EED (0.40) EEDPOLBPPARGPPARANPSR1
SCHEMBL8624698 0.84 PTPN1 (0.40) EEDPOLBPPARGMEN1KMT2A

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 3 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