SCHEMBL8622840

SCHEMBL8622840

CCOP(=O)(OCC)C(CCCCCCc1ccc(-c2ccccc2)cc1)S(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 5/20 0.48
LPAR1 Q92633 2/20 0.43
MGLL Q99685 1/20 0.42

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 0.95 FDFT1 (0.53) FDFT1
SCHEMBL8625395 0.88 POLB (0.44) FDFT1
SCHEMBL8619968 0.87 POLB (0.47) FDFT1
SCHEMBL8619754 0.86 FDFT1 (0.50) FDFT1
SCHEMBL8659011 0.86 FDFT1 (0.56) FDFT1
SCHEMBL8618653 0.85 FDFT1 (0.44) FDFT1
SCHEMBL8620506 0.85 S1PR1 (0.50) FDFT1
SCHEMBL8619655 0.84 FDFT1 (0.44) FDFT1
SCHEMBL8624038 0.83 FDFT1 (0.57) FDFT1
SCHEMBL8947208 0.82 FDFT1 (0.54) FDFT1LPAR1MGLL

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-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