SCHEMBL8618477

SCHEMBL8618477

O=P(O)(O)C(CCCc1ccc(-c2ccc(Cl)cc2)cc1)S(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 5/20 0.46
MMP2 P08253 2/20 0.43
MMP8 P22894 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 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
SCHEMBL8946999 0.87 FDFT1 (0.60) FDFT1
SCHEMBL8621199 0.87 FDFT1 (0.60) FDFT1
SCHEMBL23752399 0.87 FDFT1 (0.60) FDFT1
SCHEMBL8620713 0.86 FDFT1 (0.54) FDFT1
SCHEMBL1237801 0.86 FDFT1 (0.61) FDFT1MMP2MMP8MMP1MMP3
SCHEMBL8619964 0.86 FDFT1 (0.61) FDFT1
SCHEMBL8625390 0.86 FDFT1 (0.51) FDFT1
SCHEMBL413324 0.84 FDFT1 (0.60) FDFT1MMP2MMP8MMP1MMP3
SCHEMBL413357 0.84 FDFT1 (0.60) FDFT1
SCHEMBL8621086 0.84 FDFT1 (0.56) 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
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