SCHEMBL8623960

SCHEMBL8623960

O=P(O)(O)C(CCCc1ccc(Oc2ccccc2F)cc1)S(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 4/20 0.53
LPAR1 Q92633 12/20 0.45
LPAR5 Q9H1C0 12/20 0.45
PARP10 Q53GL7 1/20 0.41

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
SCHEMBL1237960 0.88 FDFT1 (0.70) FDFT1
SCHEMBL417905 0.87 FDFT1 (0.69) FDFT1
Potassium SCHEMBL417907 0.87 FDFT1 (0.69) FDFT1
SCHEMBL8619824 0.86 FDFT1 (0.47) FDFT1LPAR1LPAR5
SCHEMBL8622277 0.86 FDFT1 (0.47) FDFT1LPAR1LPAR5
SCHEMBL8623415 0.85 FDFT1 (0.63) FDFT1
SCHEMBL412160 0.84 FDFT1 (0.62) FDFT1
SCHEMBL8623460 0.82 FDFT1 (0.44) FDFT1
SCHEMBL8622304 0.82 FDFT1 (0.58) FDFT1
SCHEMBL8622061 0.79 FDFT1 (0.49) 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 6 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
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