SCHEMBL2227385

SCHEMBL2227385

O=C(OC[C@H]1O[C@H](O[C@H]2[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](OC(=O)c3cc(O)c(O)c(O)c3)O[C@@H]2COC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.79
MAPK1 P28482 2/20 0.79
TMPRSS2 O15393 1/20 0.79
PDE5A O76074 1/20 0.79
CA1 P00915 1/20 0.79
CA2 P00918 1/20 0.79
HMGCR P04035 1/20 0.79
CYP1A2 P05177 1/20 0.79
LCK P06239 1/20 0.79
FYN P06241 1/20 0.79
HSPD1 P10809 1/20 0.79
CYP2C9 P11712 1/20 0.79
CA6 P23280 1/20 0.79
TBXAS1 P24557 1/20 0.79
MAPK3 P27361 1/20 0.79
HSPE1 P61604 1/20 0.79
MAPK14 Q16539 1/20 0.79
TST Q16762 1/20 0.79
SLCO1B3 Q9NPD5 1/20 0.79
L3MBTL1 Q9Y468 1/20 0.79

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
Pentagalloyl Glucose SCHEMBL14266926 0.95 USP2 (0.86) USP2MAPK1TMPRSS2PDE5ACA1
Pentagalloyl Glucose SCHEMBL13286947 0.95 USP2 (0.86) USP2MAPK1TMPRSS2PDE5ACA1
Pentagalloyl Glucose SCHEMBL2787135 0.95 USP2 (0.86) USP2MAPK1TMPRSS2PDE5ACA1
Pentagalloyl Glucose SCHEMBL640108 0.95 USP2 (0.86) USP2MAPK1TMPRSS2PDE5ACA1
Pentagalloyl Glucose SCHEMBL675693 0.95 USP2 (0.86) USP2MAPK1TMPRSS2PDE5ACA1
Pentagalloyl Glucose SCHEMBL23484369 0.95 USP2 (0.86) USP2MAPK1TMPRSS2PDE5ACA1
Pentagalloyl Glucose SCHEMBL14257930 0.95 USP2 (0.86) USP2MAPK1TMPRSS2PDE5ACA1
Pentagalloyl Glucose SCHEMBL12129801 0.95 USP2 (0.86) USP2MAPK1TMPRSS2PDE5ACA1
Pentagalloyl Glucose SCHEMBL2789358 0.95 USP2 (0.86) USP2MAPK1TMPRSS2PDE5ACA1
Pentagalloyl Glucose SCHEMBL19619912 0.95 USP2 (0.86) USP2MAPK1TMPRSS2PDE5ACA1

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
WO-2011085454-A1 GP120 -BINDING BENZENE COMPOUNDS AND SACCHARIDE COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN K.U.LEUVEN R&D (BE) 2011-07-21 WO claimed
WO-2011085454-A1 GP120 -BINDING BENZENE COMPOUNDS AND SACCHARIDE COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN K.U.LEUVEN R&D (BE) 2011-07-21 WO disclosed