SCHEMBL8620755

SCHEMBL8620755

O=P(O)(O)C(CCC(Cc1ccccc1)c1ccccc1)S(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 8/20 0.50
LAP3 P28838 3/20 0.44
ANPEP P15144 3/20 0.44
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ERAP1 Q9NZ08 2/20 0.39
ERAP2 Q6P179 1/20 0.39
SRC P12931 1/20 0.39
CYP19A1 P11511 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
SCHEMBL8621511 0.85 ACP3 (0.48) ACP3ANPEPERAP1ERAP2
SCHEMBL8618661 0.82 POLB (0.48) ACP3MTNR1AMTNR1B
SCHEMBL8620902 0.79 NR1I2 (0.42) LAP3
SCHEMBL8620665 0.75 ACP3 (0.46) ACP3ANPEPERAP1ERAP2SRC
SCHEMBL8619710 0.75 S1PR2 (0.58) ACP3ANPEPERAP1ERAP2
SCHEMBL8621508 0.75 FDFT1 (0.49) ACP3ANPEPERAP1ERAP2
SCHEMBL8625400 0.75 S1PR2 (0.58) ACP3ANPEPERAP1ERAP2
SCHEMBL8621105 0.74 MMP13 (0.43) ACP3SRC
SCHEMBL8623419 0.73 SLC6A4 (0.46) ACP3SRC
SCHEMBL8621507 0.73 SRC (0.38) ACP3SRC

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 6 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
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