SCHEMBL8619655

SCHEMBL8619655

CCOP(=O)(OCC)C(CCCc1ccc(-c2ccc3ccccc3c2)cc1)S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 7/20 0.44
HDAC1 Q13547 1/20 0.39
EPHX2 P34913 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38

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
SCHEMBL8619955 0.89 FDFT1 (0.53) FDFT1
SCHEMBL8619754 0.85 FDFT1 (0.50) FDFT1
SCHEMBL8659011 0.85 FDFT1 (0.56) FDFT1
SCHEMBL8622840 0.84 FDFT1 (0.48) FDFT1
SCHEMBL8620857 0.84 FDFT1 (0.47) FDFT1HDAC1
SCHEMBL8625395 0.84 POLB (0.44) FDFT1
SCHEMBL8619968 0.84 POLB (0.47) FDFT1
SCHEMBL8624038 0.82 FDFT1 (0.57) FDFT1
SCHEMBL8619659 0.82 EPHX2 (0.38) FDFT1HDAC1EPHX2MMP2MMP3
SCHEMBL8618653 0.82 FDFT1 (0.44) FDFT1MMP2

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