SCHEMBL8902124

SCHEMBL8902124

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PREP P48147 2/20 0.31
CELA1 Q9UNI1 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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 1.00 HTT (0.36) HTTKDM4EMAPTTP53GAA
SCHEMBL8903426 0.94 KDM4E (0.37) HTTKDM4EMAPTTP53GAA
SCHEMBL9755777 0.94 HTT (0.36) HTTKDM4EMAPTTP53GAA
SCHEMBL9755783 0.93 HTT (0.36) HTTKDM4EMAPTTP53GAA
SCHEMBL8903420 0.88 KDM4E (0.35) HTTKDM4EMAPTTP53GAA
SCHEMBL8901797 0.88 KDM4E (0.35) HTTKDM4EMAPTTP53GAA
SCHEMBL9521698 0.88 KDM4E (0.37) HTTKDM4EMAPTTP53GAA
SCHEMBL9755781 0.83 HTT (0.34) HTTKDM4EMAPTTP53GAA
SCHEMBL9755774 0.83 HTT (0.34) HTTKDM4EMAPTTP53GAA
SCHEMBL8903879 0.82 KDM4E (0.36) 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
US-5593970-A ANTITUMOR AND ANTCARCINOGENIC AGENTS; TRETMENT OF CANCEROUS BONE MARROW BEFORE REGRAFTING BIOCHEM PHARMA INC. (CA) 1997-01-14 US disclosed