SCHEMBL8824820

SCHEMBL8824820

CCOCc1ccccc1OC(Cc1ccccc1)CC(P(=O)(O)O)S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.33
ANPEP P15144 1/20 0.33
ACP3 P15309 2/20 0.33
FFAR4 Q5NUL3 1/20 0.31
ALPG P10696 1/20 0.31
PTK2B Q14289 1/20 0.31
PIN1 Q13526 1/20 0.31
TSHR P16473 1/20 0.31
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL8625379 0.87 PPARA (0.38) LAP3ANPEPACP3PPARGPPARA
SCHEMBL8618813 0.85 PPARA (0.37) LAP3ANPEPPPARGPPARA
SCHEMBL8947039 0.84 LAP3 (0.36) LAP3ANPEPACP3PTK2B
SCHEMBL8947013 0.83 HTR2A (0.35) LAP3ANPEPACP3
SCHEMBL8947080 0.82 AKR1C3 (0.35) LAP3ANPEPACP3PIN1PPARG
SCHEMBL8623433 0.82 SCN4A (0.39) LAP3ANPEPACP3PIN1PPARG
SCHEMBL9167366 0.82 ADRA2C (0.38) LAP3ANPEPACP3TSHR
SCHEMBL8625231 0.79 ACP3 (0.47) LAP3ANPEPACP3PPARGPPARA
SCHEMBL8620463 0.79 FDFT1 (0.38) LAP3ANPEPACP3PIN1PPARG
SCHEMBL8618892 0.78 LAP3 (0.43) LAP3ANPEPACP3PIN1PPARG

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-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-5610314-A Process for preparing dioxolenone derivatives used for making prodrug esters and intermediates BRISTOL-MYERS SQUIBB COMPANY (US) 1997-03-11 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