SCHEMBL8934873

SCHEMBL8934873

COc1ccccc1C(OC(O)C(C)N)(c1ccccc1)c1ccccc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 1/20 0.35
ADRA2A P08913 2/20 0.34
ADRA2C P18825 1/20 0.34
LMNA P02545 1/20 0.34
HIF1A Q16665 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2D6 P10635 1/20 0.33
ADRA1A P35348 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KIF11 P52732 1/20 0.33
MEN1 O00255 2/20 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
SCHEMBL7924524 0.79 KIF11 (0.47) KMT2AADRA2ACYP2D6ADRA1ACA4
SCHEMBL5017017 0.75 HTT (0.38) NR3C2KMT2AHTTLMNAALDH1A1
SCHEMBL6257499 0.74 CA1 (0.46) NR3C2KMT2AHTTALDH1A1CA12
SCHEMBL7713128 0.74 CA1 (0.46) NR3C2KMT2AHTTALDH1A1CA12
SCHEMBL3022976 0.74 CA1 (0.46) NR3C2KMT2AHTTALDH1A1CA12
SCHEMBL136228 0.74 CA1 (0.46) NR3C2KMT2AHTTALDH1A1CA12
SCHEMBL1526502 0.74 CA1 (0.39) NR3C2KMT2AHTTALDH1A1CA12
SCHEMBL1263153 0.72 KIF11 (0.43) NR3C2KMT2AHTTLMNAKDM4E
SCHEMBL5583968 0.72 CA1 (0.43) NR3C2KMT2AHTTLMNAALDH1A1
SCHEMBL30886777 0.72 CA1 (0.43) NR3C2KMT2AHTTALDH1A1CA12

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-1996031523-A1 COVALENTLY CROSS-LINKED OLIGONUCLEOTIDES, METHOD FOR PREPARING SAME, AND SYNTHON USED THEREIN GENSET (FR) 1996-10-10 WO disclosed