SCHEMBL3358058

SCHEMBL3358058

COc1oc2cc(O)cc(O)c2c(=O)c1-c1ccc(O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.64
CYP2D6 P10635 5/20 0.64
POLH Q9Y253 5/20 0.64
KDM4E B2RXH2 4/20 0.64
APEX1 P27695 3/20 0.64
POLB P06746 3/20 0.64
RECQL P46063 2/20 0.64
MCL1 Q07820 1/20 0.64
MEN1 O00255 8/20 0.59
KMT2A Q03164 8/20 0.59
CASP1 P29466 1/20 0.59
CASP7 P55210 1/20 0.59
CYP1A2 P05177 7/20 0.57
CYP1A1 P04798 6/20 0.57
CYP1B1 Q16678 6/20 0.57
ABCB1 P08183 5/20 0.57
MAPT P10636 5/20 0.57
IP6K2 Q9UHH9 4/20 0.57
XDH P47989 4/20 0.57
ALDH1A1 P00352 4/20 0.57

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
SCHEMBL30527883 0.91 MEN1 (0.67) CYP3A4CYP2D6POLHKDM4EAPEX1
SCHEMBL30509121 0.86 ABCB1 (0.56) CYP3A4CYP2D6POLHKDM4EAPEX1
SCHEMBL5040391 0.82 MEN1 (0.70) CYP3A4CYP2D6POLHKDM4EAPEX1
SCHEMBL4104591 0.81 MEN1 (0.64) CYP3A4CYP2D6POLHKDM4EAPEX1
SCHEMBL11097926 0.81 ESR1 (0.73) CYP3A4CYP2D6KDM4EMEN1KMT2A
SCHEMBL11244826 0.79 MEN1 (0.52) CYP3A4CYP2D6POLHKDM4EPOLB
SCHEMBL22142507 0.79 MEN1 (0.61) CYP3A4CYP2D6POLHKDM4EAPEX1
SCHEMBL30684642 0.79 CYP3A4 (0.78) CYP3A4CYP2D6POLHKDM4EAPEX1
SCHEMBL2565483 0.79 CYP3A4 (0.78) CYP3A4CYP2D6POLHKDM4EAPEX1
SCHEMBL3051862 0.78 GLO1 (0.58) CYP3A4CYP2D6POLHKDM4EAPEX1

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-2010039679-A1 COMPOSITIONS FOR PROLIFERATION OF CELLS AND RELATED METHODS THE HOSPITAL FOR SICK CHILDREN (CA) 2010-04-08 WO disclosed