SCHEMBL8901797

SCHEMBL8901797

CCOC(=O)C1CC2=C(CO1)C(=O)c1c(c(O)c3ccccc3c1OC(C)=O)C2=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.35
GAA P10253 2/20 0.35
HTT P42858 2/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.32
MAOB P27338 1/20 0.32
VKORC1 Q9BQB6 1/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 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
SCHEMBL8903420 1.00 KDM4E (0.35) KDM4EGAAHTTMAPTHSD17B10
SCHEMBL8903879 0.95 KDM4E (0.36) KDM4EGAAHTTMAPTHSD17B10
SCHEMBL9755777 0.88 HTT (0.36) KDM4EGAAHTTMAPTHSD17B10
SCHEMBL8901690 0.88 HTT (0.36) KDM4EGAAHTTMAPTHSD17B10
SCHEMBL8902124 0.88 HTT (0.36) KDM4EGAAHTTMAPTHSD17B10
SCHEMBL9755783 0.87 HTT (0.36) KDM4EGAAHTTMAPTHSD17B10
SCHEMBL8902600 0.84 ALDH1A1 (0.35) KDM4EGAAHTTMAPTHSD17B10
SCHEMBL8902842 0.84 ALDH1A1 (0.35) KDM4EGAAHTTMAPTHSD17B10
SCHEMBL9521698 0.82 KDM4E (0.37) KDM4EGAAHTTMAPTHSD17B10
SCHEMBL8903426 0.82 KDM4E (0.37) KDM4EGAAHTTMAPTHSD17B10

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