SCHEMBL8624983

SCHEMBL8624983

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.40
FDFT1 P37268 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MITF O75030 1/20 0.34
KLF5 Q13887 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
MCL1 Q07820 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 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
SCHEMBL8624984 1.00 EED (0.40) EEDFDFT1KDM4EALDH1A1HPGD
SCHEMBL8625440 0.93 FDFT1 (0.40) EEDFDFT1KDM4EALDH1A1HPGD
SCHEMBL8625446 0.93 FDFT1 (0.40) EEDFDFT1KDM4EALDH1A1HPGD
SCHEMBL8619951 0.91 PTPN1 (0.38) EEDFDFT1KDM4EALDH1A1HPGD
SCHEMBL8619953 0.91 PTPN1 (0.38) EEDFDFT1KDM4EALDH1A1HPGD
SCHEMBL8625391 0.88 S1PR1 (0.41)
SCHEMBL8625397 0.88 S1PR1 (0.41)
SCHEMBL8623064 0.86 FDFT1 (0.38) FDFT1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8623068 0.86 FDFT1 (0.38) FDFT1KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8624889 0.86 EED (0.39) EEDALDH1A1LMNAGAAHTT

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 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