SCHEMBL8623433

SCHEMBL8623433

Cc1ccccc1OC(Cc1ccccc1)CC(P(=O)(O)O)S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.39
LAP3 P28838 4/20 0.38
ANPEP P15144 1/20 0.38
ACP3 P15309 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PPARG P37231 4/20 0.36
PPARA Q07869 4/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PIN1 Q13526 1/20 0.34

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
SCHEMBL8620463 0.85 FDFT1 (0.38) LAP3ANPEPACP3PPARGPPARA
SCHEMBL8625231 0.85 ACP3 (0.47) LAP3ANPEPACP3PPARGPPARA
SCHEMBL8625379 0.84 PPARA (0.38) LAP3ANPEPACP3PPARGPPARA
SCHEMBL8621232 0.84 LAP3 (0.43) LAP3ANPEPACP3PPARGPPARA
SCHEMBL8619819 0.84 LAP3 (0.43) LAP3ANPEPACP3PPARGPPARA
SCHEMBL8618892 0.84 LAP3 (0.43) LAP3ANPEPACP3PPARGPPARA
SCHEMBL8620141 0.83 PPARG (0.46) LAP3ANPEPACP3PPARGPPARA
SCHEMBL8947039 0.83 LAP3 (0.36) LAP3ANPEPACP3SMN1; SMN2
SCHEMBL8623547 0.83 MRGPRX4 (0.36) LAP3ANPEPACP3PPARA
SCHEMBL8824820 0.82 LAP3 (0.33) LAP3ANPEPACP3PPARGPPARA

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