SCHEMBL8623402

SCHEMBL8623402

CCOP(=O)(OCC)C(CCC(OCCc1ccccc1)c1ccccc1)S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ACP3 P15309 1/20 0.36
MAPK1 P28482 2/20 0.36
GAA P10253 1/20 0.35
KDM4E B2RXH2 2/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL8620665 0.85 ACP3 (0.46) ACP3
SCHEMBL8624287 0.83 POLB (0.41) POLBMAPTALDH1A1LMNANPSR1
SCHEMBL8619968 0.82 POLB (0.47) POLBALDH1A1LMNANPSR1MEN1
SCHEMBL8621535 0.82 POLB (0.41) POLBMAPTALDH1A1LMNAPPARG
SCHEMBL8624044 0.81 POLB (0.48) POLBMAPTALDH1A1LMNAKDM4E
SCHEMBL8625401 0.81 POLB (0.45) POLBMAPTALDH1A1LMNANPSR1
SCHEMBL8625395 0.80 POLB (0.44) POLBMEN1KMT2AGAA
SCHEMBL8618661 0.79 POLB (0.48) POLBMAPTALDH1A1LMNANPSR1
SCHEMBL8618653 0.78 FDFT1 (0.44) POLBMEN1KMT2AGAA
SCHEMBL8623396 0.78 FFAR1 (0.45) MEN1KMT2APPARGPPARA

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