SCHEMBL8621535

SCHEMBL8621535

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
F2 P00734 1/20 0.38
PRSS1 P07477 1/20 0.38
FFAR1 O14842 1/20 0.37
SLC6A9 P48067 1/20 0.37
SLC6A4 P31645 5/20 0.36
FDFT1 P37268 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SLC7A5 Q01650 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 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
SCHEMBL8624044 0.90 POLB (0.48) POLBSLC6A9SLC6A4ALDH1A1LMNA
SCHEMBL8620195 0.88 F2 (0.39) F2PRSS1FFAR1SLC6A9SLC6A4
SCHEMBL8623402 0.82 POLB (0.44) POLBPPARGPPARAALDH1A1LMNA
SCHEMBL8622245 0.80 SLC6A2 (0.48) POLBSLC6A4ALDH1A1LMNAMAPT
SCHEMBL8624038 0.78 FDFT1 (0.57) POLBFFAR1FDFT1PPARG
SCHEMBL8625395 0.77 POLB (0.44) POLBFDFT1
SCHEMBL8623278 0.77 FDFT1 (0.42) SLC6A4FDFT1PPARGPPARA
SCHEMBL8624761 0.77 S1PR1 (0.44) FDFT1ALDH1A1LMNA
SCHEMBL8619968 0.77 POLB (0.47) POLBFDFT1ALDH1A1LMNA
SCHEMBL8619754 0.76 FDFT1 (0.50) FDFT1

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 4 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 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