SCHEMBL8624044

SCHEMBL8624044

CCOP(=O)(OCC)C(CCC(Oc1ccccc1)c1ccccc1)S(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
SLC6A4 P31645 6/20 0.44
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
SLC6A9 P48067 1/20 0.39
KDM4E B2RXH2 2/20 0.38
SLC7A5 Q01650 1/20 0.37

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
SCHEMBL8621535 0.90 POLB (0.41) POLBSLC6A4ALDH1A1LMNAMAPT
SCHEMBL8622245 0.86 SLC6A2 (0.48) POLBSLC6A4ALDH1A1LMNAMAPT
SCHEMBL8623419 0.83 SLC6A4 (0.46) SLC6A4SLC6A9
SCHEMBL8623402 0.81 POLB (0.44) POLBALDH1A1LMNAMAPTKDM4E
SCHEMBL8624287 0.78 POLB (0.41) POLBALDH1A1LMNAMAPTKDM4E
SCHEMBL8622068 0.78 SLC6A9 (0.48) SLC6A4SLC6A9
SCHEMBL8618661 0.78 POLB (0.48) POLBALDH1A1LMNAMAPTKDM4E
SCHEMBL8619662 0.78 POLB (0.45) POLBSLC6A4ALDH1A1LMNAMAPT
SCHEMBL8620195 0.77 F2 (0.39) SLC6A4SLC6A9SLC7A5
SCHEMBL8620515 0.76 POLB (0.46) POLBALDH1A1LMNAMAPTKDM4E

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 3 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