SCHEMBL8626302

SCHEMBL8626302

CCOP(=O)(OCC)C(CCCC=C(C)CCc1ccccc1)S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.38
POLB P06746 1/20 0.38
LSS P48449 1/20 0.35
GAA P10253 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL8626297 1.00 TRPV1 (0.38) TRPV1POLBLSSGAAFNTA
SCHEMBL8625468 0.94 LSS (0.39) TRPV1POLBLSSGAAMAPT
SCHEMBL8625461 0.94 LSS (0.39) TRPV1POLBLSSGAAMAPT
SCHEMBL8622877 0.86 FDFT1 (0.34)
SCHEMBL8622881 0.86 FDFT1 (0.34)
SCHEMBL8621102 0.85 ANPEP (0.40) TRPV1
SCHEMBL8621189 0.85 ANPEP (0.40) TRPV1
SCHEMBL8621107 0.85 ANPEP (0.40) TRPV1
SCHEMBL27396721 0.84 ANPEP (0.39) TRPV1
SCHEMBL27416174 0.84 ANPEP (0.39) TRPV1

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