SCHEMBL8947039

SCHEMBL8947039

COCCc1ccccc1OC(Cc1ccccc1)CC(P(=O)(O)O)S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 4/20 0.36
ANPEP P15144 3/20 0.34
ACP3 P15309 3/20 0.33
ERAP1 Q9NZ08 2/20 0.33
ERAP2 Q6P179 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PTK2B Q14289 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FDFT1 P37268 2/20 0.32
GAA P10253 1/20 0.32
MMP2 P08253 1/20 0.31
MMP7 P09237 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 1/20 0.31

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
SCHEMBL8625379 0.90 PPARA (0.38) LAP3ANPEPACP3ERAP1ERAP2
SCHEMBL8618813 0.88 PPARA (0.37) LAP3ANPEPFDFT1
SCHEMBL8947013 0.88 HTR2A (0.35) LAP3ANPEPACP3ERAP1ERAP2
SCHEMBL8824820 0.84 LAP3 (0.33) LAP3ANPEPACP3PTK2B
SCHEMBL8947080 0.83 AKR1C3 (0.35) LAP3ANPEPACP3
SCHEMBL8623433 0.83 SCN4A (0.39) LAP3ANPEPACP3SMN1; SMN2
SCHEMBL9167366 0.83 ADRA2C (0.38) LAP3ANPEPACP3ALDH1A1
SCHEMBL8620463 0.80 FDFT1 (0.38) LAP3ANPEPACP3FDFT1GAA
SCHEMBL8625231 0.80 ACP3 (0.47) LAP3ANPEPACP3ALDH1A1
SCHEMBL8621232 0.79 LAP3 (0.43) LAP3ANPEPACP3FDFT1

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