SCHEMBL8624097

SCHEMBL8624097

CC(c1ccccc1)C(CC(P(=O)(O)O)S(=O)(=O)O)Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 6/20 0.38
ANPEP P15144 2/20 0.38
LAP3 P28838 1/20 0.38
PTGS1 P23219 1/20 0.37
SRC P12931 1/20 0.36
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
FFAR1 O14842 1/20 0.34
ALDH1A1 P00352 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33

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
SCHEMBL8620194 0.82 SLC6A4 (0.40) ACP3ANPEPLAP3SRCALDH1A1
SCHEMBL8623419 0.76 SLC6A4 (0.46) ACP3SRC
SCHEMBL8618892 0.75 LAP3 (0.43) ACP3ANPEPLAP3
SCHEMBL8619819 0.75 LAP3 (0.43) ACP3ANPEPLAP3
SCHEMBL8621232 0.75 LAP3 (0.43) ACP3ANPEPLAP3
SCHEMBL8624091 0.71 PTGS1 (0.52) PTGS1FFAR1ALDH1A1
SCHEMBL8622068 0.71 SLC6A9 (0.48) ACP3
SCHEMBL8619979 0.70 PPARG (0.49) ACP3ANPEPLAP3ALDH1A1MMP1
SCHEMBL8620141 0.70 PPARG (0.46) ACP3ANPEPLAP3
SCHEMBL8625112 0.69 PPARG (0.43) ACP3FFAR1ALDH1A1

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
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