SCHEMBL8622277

SCHEMBL8622277

Cc1ccccc1Oc1ccc(CCCC(P(=O)(O)O)S(=O)(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 7/20 0.47
LPAR1 Q92633 4/20 0.44
LPAR5 Q9H1C0 4/20 0.44
FFAR1 O14842 1/20 0.40
MAPK14 Q16539 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
SCHEMBL8619824 0.88 FDFT1 (0.47) FDFT1LPAR1LPAR5
SCHEMBL8623431 0.88 FDFT1 (0.54) FDFT1
SCHEMBL8626308 0.87 FDFT1 (0.46) FDFT1LPAR1LPAR5FFAR1
SCHEMBL8622237 0.87 FDFT1 (0.44) FDFT1LPAR1LPAR5FFAR1MAPK14
SCHEMBL8623960 0.86 FDFT1 (0.53) FDFT1LPAR1LPAR5
SCHEMBL8623415 0.85 FDFT1 (0.63) FDFT1FFAR1
SCHEMBL8623460 0.84 FDFT1 (0.44) FDFT1
SCHEMBL8622061 0.84 FDFT1 (0.49) FDFT1
SCHEMBL412160 0.84 FDFT1 (0.62) FDFT1FFAR1
SCHEMBL8620187 0.82 FDFT1 (0.55) 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 7 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 claimed
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-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