SCHEMBL8947061

SCHEMBL8947061

CC(C)=Cc1cccc(OC(CCC(P(=O)(O)O)S(=O)(=O)O)c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.39
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A9 P48067 3/20 0.35
PTGS1 P23219 1/20 0.34
MAPT P10636 1/20 0.34
EPOR P19235 2/20 0.33
SLC6A2 P23975 1/20 0.33
CACNA2D1 P54289 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 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
SCHEMBL8621492 0.84 ACP3 (0.44) SLC6A4MEN1KMT2ASLC6A9MAPT
SCHEMBL8623419 0.83 SLC6A4 (0.46) SLC6A4SLC6A9SLC6A2
SCHEMBL8623278 0.80 FDFT1 (0.42) SLC6A4
SCHEMBL8622068 0.78 SLC6A9 (0.48) SLC6A4MEN1KMT2ASLC6A9
SCHEMBL8626313 0.76 ACP3 (0.39) SLC6A4KMT2ASLC6A2
SCHEMBL8947053 0.76 FDFT1 (0.48)
SCHEMBL8620195 0.74 F2 (0.39) SLC6A4SLC6A9
SCHEMBL8619830 0.74 SLC6A2 (0.52) SLC6A4MEN1KMT2ASLC6A9SLC6A2
SCHEMBL8622280 0.74 SLC6A2 (0.52) SLC6A4MEN1KMT2ASLC6A9SLC6A2
SCHEMBL8620194 0.72 SLC6A4 (0.40) SLC6A4ALDH1A1SLC6A9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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-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