SCHEMBL8619955

SCHEMBL8619955

CCOP(=O)(OCC)C(CCCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)S(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 8/20 0.53
POLB P06746 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 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
SCHEMBL8622840 0.95 FDFT1 (0.48) FDFT1
SCHEMBL8625395 0.92 POLB (0.44) FDFT1POLB
SCHEMBL8619968 0.92 POLB (0.47) FDFT1POLB
SCHEMBL8619754 0.91 FDFT1 (0.50) FDFT1
SCHEMBL8659011 0.91 FDFT1 (0.56) FDFT1CA2
SCHEMBL8618653 0.90 FDFT1 (0.44) FDFT1POLB
SCHEMBL8619655 0.89 FDFT1 (0.44) FDFT1
SCHEMBL8624038 0.88 FDFT1 (0.57) FDFT1POLB
SCHEMBL8623396 0.85 FFAR1 (0.45) FDFT1CA12CA1CA2CA9
SCHEMBL8620506 0.85 S1PR1 (0.50) FDFT1CA2

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