SCHEMBL8622068

SCHEMBL8622068

Cc1ccc(OC(CCC(P(=O)(O)O)S(=O)(=O)O)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 9/20 0.48
HTR1A P08908 1/20 0.41
SLC6A4 P31645 5/20 0.41
ACP3 P15309 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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 0.91 SLC6A4 (0.46) SLC6A9SLC6A4ACP3
SCHEMBL8621492 0.87 ACP3 (0.44) SLC6A9SLC6A4ACP3MEN1KMT2A
SCHEMBL8620195 0.86 F2 (0.39) SLC6A9SLC6A4ACP3
SCHEMBL8622280 0.83 SLC6A2 (0.52) SLC6A9SLC6A4ACP3MEN1KMT2A
SCHEMBL8626313 0.83 ACP3 (0.39) SLC6A4ACP3KMT2A
SCHEMBL8619830 0.81 SLC6A2 (0.52) SLC6A9SLC6A4ACP3MEN1KMT2A
SCHEMBL8620194 0.79 SLC6A4 (0.40) SLC6A9SLC6A4ACP3
SCHEMBL8623278 0.79 FDFT1 (0.42) SLC6A4ACP3
Sulfuric Acid SCHEMBL143603 0.78 SLC6A4 (0.57) SLC6A9HTR1ASLC6A4
SCHEMBL8947061 0.78 SLC6A4 (0.39) SLC6A9SLC6A4MEN1KMT2A

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