SCHEMBL8624038

SCHEMBL8624038

CCOP(=O)(OCC)C(CCCc1ccc(Oc2ccccc2)cc1)S(=O)(=O)O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 12/20 0.57
FFAR1 O14842 1/20 0.42
POLB P06746 1/20 0.41
PPARG P37231 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40

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 0.90 POLB (0.44) FDFT1POLB
SCHEMBL8619968 0.90 POLB (0.47) FDFT1POLB
SCHEMBL8624255 0.90 FDFT1 (0.60) FDFT1
SCHEMBL8619955 0.88 FDFT1 (0.53) FDFT1POLB
SCHEMBL8618653 0.88 FDFT1 (0.44) FDFT1POLB
SCHEMBL8622237 0.88 FDFT1 (0.44) FDFT1FFAR1
SCHEMBL8623396 0.87 FFAR1 (0.45) FDFT1FFAR1PPARG
SCHEMBL8623415 0.84 FDFT1 (0.63) FDFT1FFAR1MMP12MMP13
SCHEMBL8622840 0.83 FDFT1 (0.48) FDFT1
SCHEMBL412160 0.83 FDFT1 (0.62) FDFT1FFAR1MMP12MMP13

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