SCHEMBL8623263

SCHEMBL8623263

CCOP(=O)(OCC)C(CC=Cc1ccc(-c2ccc3ccccc3c2)cc1)S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.38
PIN1 Q13526 1/20 0.38
GAA P10253 1/20 0.37
NR1I2 O75469 1/20 0.37
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36
GRIK3 Q13003 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
PPARG P37231 2/20 0.34
UTRN P46939 2/20 0.34
POLB P06746 1/20 0.34
EPHX2 P34913 1/20 0.33
CA12 O43570 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL8623258 1.00 EED (0.38) EEDPIN1GAANR1I2GRIK1
SCHEMBL8624693 0.83 PTPN1 (0.40) EEDNR1I2PPARGPOLB
SCHEMBL8624698 0.83 PTPN1 (0.40) EEDNR1I2PPARGPOLB
SCHEMBL8624984 0.82 EED (0.40) EEDGAACA1CA2CA9
SCHEMBL8624983 0.82 EED (0.40) EEDGAACA1CA2CA9
SCHEMBL8947181 0.81 EED (0.40) EEDGAANR1I2PPARGPOLB
SCHEMBL8622272 0.81 EED (0.40) EEDGAANR1I2PPARGPOLB
SCHEMBL8625446 0.79 FDFT1 (0.40) EED
SCHEMBL8624889 0.79 EED (0.39) EEDGAANR1I2PPARGPOLB
SCHEMBL8624891 0.79 EED (0.39) EEDGAANR1I2PPARGPOLB

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 4 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
EP-0595635-A1 Alpha-phosphorous substituted sulfonate derivatives as squalene synthetase inhibitors E.R. Squibb & Sons, Inc. (US) 1994-05-04 EP disclosed