SCHEMBL10839866

SCHEMBL10839866

COc1ccc(OC)c2c(=O)c(C(=O)O)c[nH]c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
HPGD P15428 3/20 0.65
ALDH1A1 P00352 2/20 0.65
CNR2 P34972 2/20 0.57
CNR1 P21554 1/20 0.57
CYP1A2 P05177 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CSNK2A1 P68400 5/20 0.48
CSNK2A2 P19784 4/20 0.48
CSNK2B P67870 4/20 0.48
PIM3 Q86V86 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TET2 Q6N021 1/20 0.41
TET1 Q8NFU7 1/20 0.41
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40

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
SCHEMBL50925 0.87 KDM4E (0.58) KDM4EHPGDALDH1A1CNR2CNR1
SCHEMBL9829849 0.81 CLEC4M (0.56) KDM4EHPGDALDH1A1CNR2CNR1
SCHEMBL16597393 0.80 KDM4E (0.52) KDM4EHPGDALDH1A1CNR2CNR1
SCHEMBL7509122 0.79 KDM4E (1.00) KDM4EHPGDALDH1A1CNR2CYP1A2
SCHEMBL395847 0.79 KDM4E (0.62) KDM4EHPGDALDH1A1CYP1A2HSD17B10
SCHEMBL3182648 0.79 CNR1 (0.48) KDM4EHPGDALDH1A1CNR2CNR1
SCHEMBL9893958 0.78 KDM4E (0.61) KDM4EHPGDALDH1A1CYP1A2HSD17B10
Ammonia Solution, Strong SCHEMBL28187483 0.78 ALDH1A1 (0.97) KDM4EHPGDALDH1A1CNR2CYP1A2
Hydrochloric Acid SCHEMBL30353212 0.78 ALDH1A1 (0.97) KDM4EHPGDALDH1A1CNR2CYP1A2
SCHEMBL12993747 0.77 KDM4E (0.49) KDM4EHPGDALDH1A1CNR2CNR1

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-4587341-A BACTERICIDES BURROUGHS WELLCOME CO. (US) 1986-05-06 US disclosed