SCHEMBL8619855

SCHEMBL8619855

CCCc1ccc(CCC(C)CCCCC(P(=O)(O)O)S(=O)(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.41
S1PR3 Q99500 7/20 0.41
S1PR2 O95136 6/20 0.41
S1PR4 O95977 4/20 0.41
ENPP2 Q13822 1/20 0.39
FDFT1 P37268 2/20 0.38
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP8 P22894 2/20 0.37
MMP13 P45452 2/20 0.37
MMP14 P50281 2/20 0.37
MMP7 P09237 1/20 0.37
CA2 P00918 1/20 0.36
PLK1 P53350 1/20 0.35

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
SCHEMBL8623094 0.87 ENPP2 (0.53) S1PR1S1PR3S1PR2S1PR4ENPP2
SCHEMBL8618777 0.86 FDFT1 (0.47) FDFT1MMP2MMP9MMP8MMP13
SCHEMBL8621425 0.85 FDFT1 (0.50) S1PR1S1PR3S1PR2S1PR4ENPP2
SCHEMBL8620466 0.85 FDFT1 (0.46) S1PR1S1PR3S1PR2S1PR4ENPP2
SCHEMBL8620713 0.83 FDFT1 (0.54) S1PR1S1PR3S1PR2S1PR4ENPP2
SCHEMBL8619882 0.81 S1PR1 (0.49) S1PR1S1PR3S1PR2S1PR4
SCHEMBL8620187 0.80 FDFT1 (0.55) S1PR1S1PR3S1PR2S1PR4ENPP2
SCHEMBL8619605 0.79 TAAR1 (0.34) MMP2MMP9MMP8MMP13MMP14
SCHEMBL8620898 0.79 ENPP2 (0.60) S1PR1S1PR3S1PR2S1PR4ENPP2
SCHEMBL8619964 0.78 FDFT1 (0.61) S1PR1S1PR3S1PR2S1PR4ENPP2

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 4 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-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
EP-0595635-A1 Alpha-phosphorous substituted sulfonate derivatives as squalene synthetase inhibitors E.R. Squibb & Sons, Inc. (US) 1994-05-04 EP disclosed