SCHEMBL8618632

SCHEMBL8618632

C/C(=C\CCCC(P(=O)(O)O)S(=O)(=O)O)COc1ccccc1C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.40
NOTUM Q6P988 1/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 2/20 0.37
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
AOC2 O75106 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL8618638 1.00 NPSR1 (0.40) NPSR1NOTUMKMT2AMAPTALDH1A1
SCHEMBL27408464 0.99 NPSR1 (0.39) NPSR1NOTUMKMT2AMAPTALDH1A1
SCHEMBL8618608 0.85 BTN3A1 (0.37) KMT2AMEN1
SCHEMBL8620223 0.82 MAPT (0.36) KMT2AMAPTALDH1A1MEN1TSHR
SCHEMBL8620225 0.82 MAPT (0.36) KMT2AMAPTALDH1A1MEN1TSHR
SCHEMBL27419578 0.81 MAPT (0.36) KMT2AMAPTALDH1A1MEN1TSHR
SCHEMBL8623006 0.81 KMT2A (0.43) NPSR1KMT2AMAPTALDH1A1MEN1
SCHEMBL8623000 0.81 KMT2A (0.43) NPSR1KMT2AMAPTALDH1A1MEN1
SCHEMBL8947043 0.79
SCHEMBL8947038 0.79

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