SCHEMBL8620195

SCHEMBL8620195

CCCc1ccc(OC(CCC(P(=O)(O)O)S(=O)(=O)O)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
FFAR1 O14842 1/20 0.39
SLC6A9 P48067 5/20 0.39
ACP3 P15309 1/20 0.39
SLC6A4 P31645 5/20 0.38
FDFT1 P37268 2/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
SLC7A5 Q01650 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL8621535 0.88 POLB (0.41) F2PRSS1FFAR1SLC6A9SLC6A4
SCHEMBL8623278 0.88 FDFT1 (0.42) ACP3SLC6A4FDFT1PPARGPPARA
SCHEMBL8623419 0.87 SLC6A4 (0.46) SLC6A9ACP3SLC6A4
SCHEMBL8622068 0.86 SLC6A9 (0.48) SLC6A9ACP3SLC6A4
SCHEMBL8621492 0.79 ACP3 (0.44) SLC6A9ACP3SLC6A4
SCHEMBL8623463 0.78 ACP3 (0.34) SLC6A9ACP3SLC6A4
SCHEMBL8620665 0.78 ACP3 (0.46) ACP3
SCHEMBL8620802 0.78 PPARG (0.42) FFAR1FDFT1PPARGPPARA
SCHEMBL8620187 0.77 FDFT1 (0.55) FDFT1
SCHEMBL8626313 0.77 ACP3 (0.39) ACP3SLC6A4PPARA

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