SCHEMBL8625468

SCHEMBL8625468

CCOP(=O)(OCC)C(CCCC=C(C)CCCCc1ccccc1)S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.39
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX5 P09917 1/20 0.36
LPAR1 Q92633 6/20 0.35
TRPV1 Q8NER1 1/20 0.35
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL8625461 1.00 LSS (0.39) LSSPOLBMEN1KMT2AALOX5
SCHEMBL8626302 0.94 TRPV1 (0.38) LSSPOLBMEN1KMT2ATRPV1
SCHEMBL8626297 0.94 TRPV1 (0.38) LSSPOLBMEN1KMT2ATRPV1
SCHEMBL8622877 0.88 FDFT1 (0.34)
SCHEMBL8622881 0.88 FDFT1 (0.34)
SCHEMBL8622789 0.86 S1PR2 (0.41) LSSMAPTRXFP1
SCHEMBL8622799 0.86 S1PR2 (0.41) LSSMAPTRXFP1
SCHEMBL8619968 0.84 POLB (0.47) POLBMEN1KMT2AGAA
SCHEMBL8624092 0.82 LSS (0.40) LSS
SCHEMBL8624098 0.82 LSS (0.40) LSS

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