SCHEMBL8625399

SCHEMBL8625399

CCOP(=O)(OCC)C(CCc1ccc(CCCc2ccccc2)cc1)CS(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
S1PR2 O95136 3/20 0.38
S1PR1 P21453 3/20 0.38
S1PR3 Q99500 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
S1PR4 O95977 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
ANPEP P15144 2/20 0.37
ERAP1 Q9NZ08 2/20 0.37
ERAP2 Q6P179 1/20 0.37
FDFT1 P37268 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL8618660 0.93 POLB (0.42) POLBMEN1KMT2AGAAKDM4E
SCHEMBL8624041 0.88 FDFT1 (0.45) POLBS1PR1GAAFDFT1
SCHEMBL8620511 0.88 S1PR1 (0.52) S1PR2S1PR1S1PR3S1PR4KDM4E
SCHEMBL8623400 0.88 FFAR1 (0.44) MEN1KMT2A
SCHEMBL8619659 0.82 EPHX2 (0.38) POLBGAAFDFT1
SCHEMBL8622242 0.81 LPAR1 (0.39) POLBFDFT1
SCHEMBL8625395 0.81 POLB (0.44) POLBMEN1KMT2AGAAFDFT1
SCHEMBL8619968 0.78 POLB (0.47) POLBMEN1KMT2AGAAKDM4E
SCHEMBL8947010 0.78 S1PR1 (0.36) S1PR2S1PR1S1PR3S1PR4ALDH1A1
SCHEMBL8618653 0.77 FDFT1 (0.44) POLBMEN1KMT2AGAAFDFT1

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