SCHEMBL8621492

SCHEMBL8621492

Cc1cccc(OC(CCC(P(=O)(O)O)S(=O)(=O)O)c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.44
SLC6A4 P31645 3/20 0.43
NPSR1 Q6W5P4 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
SLC6A9 P48067 5/20 0.39
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 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
SCHEMBL8623419 0.88 SLC6A4 (0.46) ACP3SLC6A4SLC6A9
SCHEMBL8622068 0.87 SLC6A9 (0.48) ACP3SLC6A4NPSR1SLC6A9MEN1
SCHEMBL8623278 0.85 FDFT1 (0.42) ACP3SLC6A4
SCHEMBL8947061 0.84 SLC6A4 (0.39) SLC6A4SLC6A9MEN1KMT2AMAPT
SCHEMBL8626313 0.82 ACP3 (0.39) ACP3SLC6A4L3MBTL1KMT2AOPRM1
SCHEMBL8622280 0.80 SLC6A2 (0.52) ACP3SLC6A4SLC6A9MEN1KMT2A
SCHEMBL8620195 0.79 F2 (0.39) ACP3SLC6A4SLC6A9
SCHEMBL8619830 0.78 SLC6A2 (0.52) ACP3SLC6A4SLC6A9MEN1KMT2A
SCHEMBL8625112 0.77 PPARG (0.43) ACP3MAPK1MEN1KMT2ALMNA
SCHEMBL8620194 0.76 SLC6A4 (0.40) ACP3SLC6A4SLC6A9

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