SCHEMBL8623064

SCHEMBL8623064

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 2/20 0.38
KDM4E B2RXH2 1/20 0.36
MITF O75030 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KLF5 Q13887 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
GPR183 P32249 1/20 0.33
MCL1 Q07820 1/20 0.33
ENPP2 Q13822 1/20 0.33
CA2 P00918 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CDC25B P30305 1/20 0.32

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
SCHEMBL8623068 1.00 FDFT1 (0.38) FDFT1KDM4EMITFALDH1A1HPGD
SCHEMBL8618048 0.92 ENPP2 (0.45) FDFT1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8618052 0.92 ENPP2 (0.45) FDFT1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL9161959 0.91 ENPP2 (0.44) FDFT1KDM4EALDH1A1HPGDSMN1; SMN2
Potassium SCHEMBL9161975 0.91 ENPP2 (0.44) FDFT1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8619747 0.87 ENPP2 (0.50) S1PR2S1PR1S1PR3LPAR2ENPP2
SCHEMBL8619749 0.87 ENPP2 (0.50) S1PR2S1PR1S1PR3LPAR2ENPP2
SCHEMBL8624983 0.86 EED (0.40) FDFT1KDM4EMITFALDH1A1HPGD
SCHEMBL8624984 0.86 EED (0.40) FDFT1KDM4EMITFALDH1A1HPGD
SCHEMBL27416857 0.86 ENPP2 (0.49) S1PR2S1PR1S1PR3LPAR2ENPP2

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