SCHEMBL8624267

SCHEMBL8624267

CCCCCCCCCCCCCCC(P(=O)(OCC)OCC)S(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
SMPD1 P17405 3/20 0.43
FDPS P14324 5/20 0.43
LAP3 P28838 1/20 0.41
SGPL1 O95470 4/20 0.39
LPAR3 Q9UBY5 3/20 0.39
LPAR1 Q92633 2/20 0.39
LPAR2 Q9HBW0 2/20 0.39
PTPN1 P18031 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
SCHEMBL8620506 0.84 S1PR1 (0.50) TP53
SCHEMBL8620515 0.82 POLB (0.46)
SCHEMBL353227 0.80 POLB (0.38) TP53
SCHEMBL8621567 0.78 FDPS (0.59) TP53SMPD1FDPSLAP3LPAR3
SCHEMBL8659011 0.77 FDFT1 (0.56)
SCHEMBL4068245 0.77 SMPD1 (0.47) SMPD1FDPSLAP3SGPL1LPAR3
SCHEMBL8645070 0.75 LPAR3 (0.36) LPAR3LPAR1LPAR2
SCHEMBL8645068 0.75 LPAR3 (0.36) LPAR3LPAR1LPAR2
SCHEMBL8645074 0.75 LPAR3 (0.36) LPAR3LPAR1LPAR2
SCHEMBL15353194 0.74 SMPD1 (0.44) SMPD1FDPSLAP3LPAR3LPAR1

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 4 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
EP-0595635-A1 Alpha-phosphorous substituted sulfonate derivatives as squalene synthetase inhibitors E.R. Squibb & Sons, Inc. (US) 1994-05-04 EP disclosed