SCHEMBL8620225

SCHEMBL8620225

CC(=CCCCC(P(=O)(O)O)S(=O)(=O)O)COc1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
HPGD P15428 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
WDR5 P61964 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 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
SCHEMBL8620223 1.00 MAPT (0.36) MAPTHPGDL3MBTL1KMT2AMEN1
SCHEMBL27419578 0.99 MAPT (0.36) MAPTHPGDL3MBTL1KMT2AMEN1
SCHEMBL8618608 0.89 BTN3A1 (0.37) KMT2AMEN1
SCHEMBL8623000 0.87 KMT2A (0.43) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL8618472 0.87 S1PR1 (0.40) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL8623006 0.87 KMT2A (0.43) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL8618467 0.87 S1PR1 (0.40) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL8618638 0.82 NPSR1 (0.40) MAPTKMT2AMEN1ALDH1A1TSHR
SCHEMBL8618632 0.82 NPSR1 (0.40) MAPTKMT2AMEN1ALDH1A1TSHR
SCHEMBL8625187 0.80 FDFT1 (0.39)

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 7 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 claimed
CN-1089614-A Alpha-phosphonosulfonate squalene synthetase inhibitors and method SQUIBB & SONS INC (US) 1994-07-20 CN claimed
EP-0595635-A1 Alpha-phosphorous substituted sulfonate derivatives as squalene synthetase inhibitors E.R. Squibb & Sons, Inc. (US) 1994-05-04 EP claimed
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