SCHEMBL8618653

SCHEMBL8618653

CCOP(=O)(OCC)C(CCCc1ccc(Cc2ccccc2)cc1)S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 6/20 0.44
POLB P06746 1/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL8625395 0.95 POLB (0.44) FDFT1POLBMEN1KMT2AGAA
SCHEMBL8619968 0.95 POLB (0.47) FDFT1POLBMEN1KMT2AGAA
SCHEMBL8619955 0.90 FDFT1 (0.53) FDFT1POLB
SCHEMBL8624038 0.88 FDFT1 (0.57) FDFT1POLB
SCHEMBL8623396 0.87 FFAR1 (0.45) FDFT1MEN1KMT2A
SCHEMBL8625401 0.86 POLB (0.45) FDFT1POLBMEN1KMT2AGAA
SCHEMBL8622840 0.85 FDFT1 (0.48) FDFT1
SCHEMBL8620506 0.85 S1PR1 (0.50) FDFT1
SCHEMBL8619754 0.84 FDFT1 (0.50) FDFT1
SCHEMBL8659011 0.84 FDFT1 (0.56) FDFT1

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