SCHEMBL8947006

SCHEMBL8947006

CCC(=O)OC(CC)OP(=O)(OC(CC)OC(=O)CC)C(CCCc1cccc(Oc2ccccc2)c1)S(=O)(=O)O

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 14/20 0.52

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
SCHEMBL9162229 0.90 FDFT1 (0.53) FDFT1
SCHEMBL8947017 0.88 FDFT1 (0.51) FDFT1
SCHEMBL8947012 0.84 FDFT1 (0.44) FDFT1
SCHEMBL8947185 0.81 FDFT1 (0.53) FDFT1
SCHEMBL8624255 0.81 FDFT1 (0.60) FDFT1
SCHEMBL8947216 0.80 FDFT1 (0.52) FDFT1
SCHEMBL9162406 0.80 FDFT1 (0.52) FDFT1
SCHEMBL16366775 0.79 FDFT1 (0.48) FDFT1
SCHEMBL8621227 0.78 FDFT1 (0.67) FDFT1
SCHEMBL8619815 0.78 FDFT1 (0.67) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-0595635-A1 Alpha-phosphorous substituted sulfonate derivatives as squalene synthetase inhibitors E.R. Squibb & Sons, Inc. (US) 1994-05-04 EP claimed
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