SCHEMBL5505629

SCHEMBL5505629

OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C(OC(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
KIF11 P52732 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 1/20 0.33
TK1 P04183 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
PDE4A P27815 1/20 0.30

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
SCHEMBL6671853 0.87 KIF11 (0.38) KIF11TK1CYP2C9ALOX15TSHR
SCHEMBL10438660 0.78 TK1 (0.44) TDP1KIF11L3MBTL1LMNATK1
SCHEMBL27770041 0.77 TDP1 (0.44) TDP1KIF11L3MBTL1LMNAMAPT
SCHEMBL27770044 0.77 TDP1 (0.44) TDP1KIF11L3MBTL1LMNAMAPT
SCHEMBL21351764 0.75 KIF11 (0.37) KIF11TK1MAPTCYP2C9ALOX15
SCHEMBL8587208 0.74 TK1 (0.44) TDP1KIF11L3MBTL1LMNATK1
SCHEMBL5505626 0.71 TK1 (0.41) KIF11TK1CYP2C9ALOX15TSHR
SCHEMBL5322323 0.71 TK1 (0.39) KIF11LMNATK1
SCHEMBL24587233 0.70 TK1 (0.48) KIF11LMNATK1CYP2C9ALOX15
SCHEMBL6516985 0.70 TK1 (0.48) KIF11LMNATK1CYP2C9ALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778709-A2 POLYSULFATED GLYCOSIDES AND SALTS THEREOF IVAX Drug Research Institute Ltd (HU) 2007-05-02 EP disclosed
WO-2006017726-A2 POLYSULFATED GLYCOSIDES AND SALTS THEREOF IVAX DRUG RESEARCH INSTITUTE LTD (HU) 2006-02-16 WO disclosed