SCHEMBL8624285

SCHEMBL8624285

CCOP(=O)(OCC)C(CCCc1ccc(OCCCC=C(C)C)cc1)S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 3/20 0.37
S1PR1 P21453 6/20 0.36
S1PR4 O95977 4/20 0.35
S1PR5 Q9H228 4/20 0.35
S1PR3 Q99500 3/20 0.35
S1PR2 O95136 1/20 0.35
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL8620033 0.88 S1PR1 (0.40) FDFT1S1PR1S1PR4S1PR5S1PR3
SCHEMBL8623396 0.85 FFAR1 (0.45) FDFT1PPARGPPARA
SCHEMBL8947010 0.83 S1PR1 (0.36) S1PR1S1PR4S1PR5S1PR3S1PR2
SCHEMBL8624761 0.82 S1PR1 (0.44) FDFT1S1PR1S1PR4S1PR5S1PR3
SCHEMBL8624038 0.79 FDFT1 (0.57) FDFT1PPARG
SCHEMBL8622881 0.79 FDFT1 (0.34) FDFT1S1PR1S1PR4S1PR3S1PR2
SCHEMBL8622877 0.79 FDFT1 (0.34) FDFT1S1PR1S1PR4S1PR3S1PR2
SCHEMBL8625395 0.78 POLB (0.44) FDFT1
SCHEMBL8620506 0.78 S1PR1 (0.50) FDFT1S1PR1S1PR4S1PR5S1PR3
SCHEMBL8619968 0.78 POLB (0.47) FDFT1ALDH1A1

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-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