SCHEMBL13076079

SCHEMBL13076079

CCOP(=O)(COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O)OCN

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 13/20 0.61
CTNNB1 P35222 13/20 0.61
CYP1A2 P05177 6/20 0.60
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
CYP1A1 P04798 5/20 0.60
CYP1B1 Q16678 5/20 0.60
CA12 O43570 3/20 0.60
CA2 P00918 3/20 0.60
PPARG P37231 3/20 0.60
CA7 P43166 3/20 0.60
XDH P47989 3/20 0.60
IPMK Q8NFU5 3/20 0.60
IP6K2 Q9UHH9 3/20 0.60
CA4 P22748 2/20 0.60
KDM4E B2RXH2 3/20 0.53
TP53 P04637 3/20 0.53
CYP3A4 P08684 3/20 0.53
CYP2C9 P11712 3/20 0.53
ALOX15 P16050 3/20 0.53

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
SCHEMBL13056274 0.95 BCL9 (0.66) BCL9CTNNB1CYP1A2MEN1KMT2A
SCHEMBL13076082 0.87 BCL9 (0.62) BCL9CTNNB1CYP1A2MEN1KMT2A
SCHEMBL13056272 0.87 BCL9 (0.67) BCL9CTNNB1CYP1A2MEN1KMT2A
SCHEMBL13056303 0.84 CYP1A2 (0.64) BCL9CTNNB1CYP1A2MEN1KMT2A
SCHEMBL3755551 0.83 MEN1 (0.69) BCL9CTNNB1CYP1A2MEN1KMT2A
SCHEMBL13056268 0.82 MAPT (0.66) BCL9CTNNB1CYP1A2MEN1KMT2A
SCHEMBL13076819 0.81 BCL9 (0.54) BCL9CTNNB1CYP1A2MEN1KMT2A
SCHEMBL13056275 0.79 POLH (0.77) BCL9CTNNB1CYP1A2MEN1KMT2A
SCHEMBL18102793 0.79 MEN1 (0.76) BCL9CTNNB1CYP1A2MEN1KMT2A
SCHEMBL13056298 0.78 ABCB1 (0.55) BCL9CTNNB1CYP1A2MEN1KMT2A

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-2010129138-A2 PHOSPHORYLATED AND PHOSPHONATED PYRONE ANALOGS FOR THERAPEUTIC TREATMENT LIMERICK BIOPHARMA (US) 2010-11-11 WO disclosed