SCHEMBL8619968

SCHEMBL8619968

CCOP(=O)(OCC)C(CCCc1ccccc1)S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
FDFT1 P37268 6/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL8625395 0.97 POLB (0.44) POLBFDFT1MEN1KMT2AGAA
SCHEMBL8618653 0.95 FDFT1 (0.44) POLBFDFT1MEN1KMT2AGAA
SCHEMBL8619955 0.92 FDFT1 (0.53) POLBFDFT1
SCHEMBL8625401 0.91 POLB (0.45) POLBFDFT1MEN1KMT2AGAA
SCHEMBL8624038 0.90 FDFT1 (0.57) POLBFDFT1
SCHEMBL8623396 0.89 FFAR1 (0.45) FDFT1MEN1KMT2A
SCHEMBL8622840 0.87 FDFT1 (0.48) FDFT1
SCHEMBL8624255 0.87 FDFT1 (0.60) FDFT1
SCHEMBL8620506 0.86 S1PR1 (0.50) FDFT1KDM4EALDH1A1LMNA
SCHEMBL8619754 0.85 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