SCHEMBL8620515

SCHEMBL8620515

CCCCCCCC(CCC(P(=O)(OCC)OCC)S(=O)(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
NR1I2 O75469 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
CETP P11597 3/20 0.37
NAAA Q02083 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36

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
SCHEMBL8625401 0.87 POLB (0.45) POLBALDH1A1LMNAMAPTKDM4E
SCHEMBL8620902 0.85 NR1I2 (0.42) NR1I2CETPNAAA
SCHEMBL8618661 0.83 POLB (0.48) POLBALDH1A1LMNAMAPTKDM4E
SCHEMBL8624267 0.82 TP53 (0.46)
SCHEMBL8620506 0.77 S1PR1 (0.50) ALDH1A1LMNAKDM4E
Phosphoric Acid SCHEMBL15475811 0.77 CETP (0.47) NR1I2CETPNAAACYSLTR2CYSLTR1
SCHEMBL8619968 0.76 POLB (0.47) POLBALDH1A1LMNAKDM4E
SCHEMBL8624044 0.76 POLB (0.48) POLBALDH1A1LMNAMAPTKDM4E
SCHEMBL8622840 0.75 FDFT1 (0.48)
SCHEMBL9641527 0.74 S1PR2 (0.48) NR1I2ALDH1A1NAAACYSLTR2CYSLTR1

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 3 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