SCHEMBL9755783

SCHEMBL9755783

CC(=O)Oc1c2c(c(O)c3ccccc13)C(=O)C1=C(COC(C(=O)O)C1)C2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.36
KDM4E B2RXH2 5/20 0.36
MAPT P10636 4/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
POLB P06746 2/20 0.33
TSHR P16473 1/20 0.33
EPHX2 P34913 1/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CREB1 P16220 1/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL8901690 0.93 HTT (0.36) HTTKDM4EMAPTTP53GAA
SCHEMBL9755777 0.93 HTT (0.36) HTTKDM4EMAPTTP53GAA
SCHEMBL8902124 0.93 HTT (0.36) HTTKDM4EMAPTTP53GAA
SCHEMBL8901797 0.87 KDM4E (0.35) HTTKDM4EMAPTTP53GAA
SCHEMBL8903420 0.87 KDM4E (0.35) HTTKDM4EMAPTTP53GAA
SCHEMBL9521698 0.87 KDM4E (0.37) HTTKDM4EMAPTTP53GAA
SCHEMBL8903426 0.87 KDM4E (0.37) HTTKDM4EMAPTTP53GAA
SCHEMBL9755764 0.82 ADORA3 (0.35) HTTKDM4EMAPTTP53GAA
SCHEMBL9755781 0.82 HTT (0.34) HTTKDM4EMAPTTP53GAA
SCHEMBL9755774 0.82 HTT (0.34) HTTKDM4EMAPTTP53GAA

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-1991019725-A2 HETEROCYCLIC ANTHRACYCLIONE AND ANTHRACYCLINE ANALOGS BIOCHEM PHARMA INC. (CA) 1991-12-26 WO disclosed