SCHEMBL8620194

SCHEMBL8620194

O=P(O)(O)C(CC(Oc1ccccc1)c1ccccc1)S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.40
SRC P12931 3/20 0.39
ACP3 P15309 6/20 0.38
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC6A9 P48067 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ANPEP P15144 1/20 0.35
LAP3 P28838 1/20 0.35

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 0.87 SLC6A4 (0.46) SLC6A4SRCACP3SLC6A9
SCHEMBL8624097 0.82 ACP3 (0.38) SRCACP3ALDH1A1ANPEPLAP3
SCHEMBL8622068 0.79 SLC6A9 (0.48) SLC6A4ACP3SLC6A9
SCHEMBL8621232 0.78 LAP3 (0.43) ACP3ANPEPLAP3
SCHEMBL8619819 0.78 LAP3 (0.43) ACP3ANPEPLAP3
SCHEMBL8618892 0.78 LAP3 (0.43) ACP3ANPEPLAP3
SCHEMBL8618692 0.77 THRA (0.35) ACP3
SCHEMBL8621492 0.76 ACP3 (0.44) SLC6A4ACP3SLC6A9
SCHEMBL8620195 0.76 F2 (0.39) SLC6A4ACP3SLC6A9
SCHEMBL8624044 0.74 POLB (0.48) SLC6A4SLC6A9ALDH1A1

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