SCHEMBL2227165

SCHEMBL2227165

O=C(OC[C@H]1O[C@H](OC(=O)c2ccc(O)c(O)c2O)[C@@H](OC(=O)c2ccc(O)c(O)c2O)[C@@H](OC(=O)c2ccc(O)c(O)c2O)[C@@H]1OC(=O)c1ccc(O)c(O)c1O)c1ccc(O)c(O)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANTXR2 P58335 3/20 1.00
PTPN1 P18031 4/20 0.61
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
TMPRSS2 O15393 1/20 0.56
USP2 O75604 1/20 0.56
PDE5A O76074 1/20 0.56
HMGCR P04035 1/20 0.56
CYP1A2 P05177 1/20 0.56
LCK P06239 1/20 0.56
FYN P06241 1/20 0.56
HSPD1 P10809 1/20 0.56
CYP2C9 P11712 1/20 0.56
CA6 P23280 1/20 0.56
TBXAS1 P24557 1/20 0.56
MAPK3 P27361 1/20 0.56
MAPK1 P28482 1/20 0.56
HSPE1 P61604 1/20 0.56
MAPK14 Q16539 1/20 0.56
TST Q16762 1/20 0.56

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
SCHEMBL2227368 1.00 ANTXR2 (1.00) ANTXR2PTPN1CA1CA2TMPRSS2
SCHEMBL23484450 0.84 ANTXR2 (0.72) ANTXR2PTPN1CA1CA2TMPRSS2
SCHEMBL13966444 0.79 ANTXR2 (0.65) ANTXR2PTPN1CA1CA2TMPRSS2
SCHEMBL13286897 0.78 PTPN1 (0.97) ANTXR2PTPN1CA1CA2TMPRSS2
SCHEMBL2226958 0.78 PTPN1 (0.97) ANTXR2PTPN1CA1CA2TMPRSS2
SCHEMBL5664244 0.78 PTPN1 (0.97) ANTXR2PTPN1CA1CA2TMPRSS2
SCHEMBL2226788 0.78 PTPN1 (0.97) ANTXR2PTPN1CA1CA2TMPRSS2
Pentagalloyl Glucose SCHEMBL14266926 0.77 USP2 (0.86) ANTXR2PTPN1CA1CA2TMPRSS2
Pentagalloyl Glucose SCHEMBL640108 0.77 USP2 (0.86) ANTXR2PTPN1CA1CA2TMPRSS2
Pentagalloyl Glucose SCHEMBL23484369 0.77 USP2 (0.86) ANTXR2PTPN1CA1CA2TMPRSS2

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 1 patent. 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 disclosed