SCHEMBL8319207

SCHEMBL8319207

COc1cc2c(c(OC)c1OC)C=CC(C=O)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.43
ACHE P22303 2/20 0.42
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 2/20 0.35
ALOX5 P09917 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 2/20 0.34
PDE4D Q08499 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GSK3B P49841 2/20 0.33
LMNA P02545 2/20 0.33
DRD1 P21728 1/20 0.33
ATR Q13535 1/20 0.33
POLB P06746 1/20 0.33
NOD2 Q9HC29 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL6787091 0.67 ATM (0.41) ATMACHETDP1MEN1KMT2A
SCHEMBL13626343 0.66 ATM (0.47) ATMACHETDP1LMNADRD1
SCHEMBL27390763 0.63 ALDH1A1 (0.49) ACHETDP1ALDH1A1PDE4DGAA
SCHEMBL11039921 0.63 LMNA (0.43) ATMACHETDP1MEN1KMT2A
SCHEMBL18500772 0.62
Schisandrin A SCHEMBL29354946 0.60 ATM (1.00) ATMACHETDP1MEN1KMT2A
Deoxyschisandrin SCHEMBL29554677 0.60 ATM (1.00) ATMACHETDP1MEN1KMT2A
Schisandrin A SCHEMBL29402874 0.60 ATM (1.00) ATMACHETDP1MEN1KMT2A
Schisandrin A SCHEMBL2404905 0.60 ATM (1.00) ATMACHETDP1MEN1KMT2A
SCHEMBL334072 0.60 CYP3A4 (0.45) ACHEALDH1A1PDE4DGAASMN1; SMN2

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
EP-0926138-A1 DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-06-30 EP disclosed