SCHEMBL7646522

SCHEMBL7646522

COc1cccc(C(CC(C)(CO)CO)(c2ccccc2)c2ccccc2)c1OC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.38
GAA P10253 1/20 0.36
NFE2L2 Q16236 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNA5 P22460 7/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 1/20 0.34
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HIF1A Q16665 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 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
SCHEMBL5133757 0.87 NFE2L2 (0.40) NR3C2GAANFE2L2SMN1; SMN2NPC1
SCHEMBL6855010 0.82 L3MBTL1 (0.39) GAANFE2L2SMN1; SMN2KCNA5NPC1
SCHEMBL15212175 0.80 NFE2L2 (0.39) NFE2L2SMN1; SMN2KCNA5NPC1RAB9A
SCHEMBL27938323 0.79 SMN1; SMN2 (0.40) NFE2L2SMN1; SMN2KCNA5NPC1RAB9A
SCHEMBL7912706 0.76 KIF11 (0.41) NFE2L2SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL7541639 0.76 KIF11 (0.40) NFE2L2SMN1; SMN2NPC1RAB9AHIF1A
SCHEMBL27926604 0.75 NFE2L2 (0.44) GAANFE2L2SMN1; SMN2KCNA5ABCB1
SCHEMBL11480225 0.75 SMN1; SMN2 (0.44) GAANFE2L2SMN1; SMN2NPC1RAB9A
SCHEMBL15212075 0.74 CNR1 (0.35) GAANFE2L2SMN1; SMN2KCNA5NPC1
SCHEMBL15212062 0.74 KIF11 (0.40) NR3C2NFE2L2SMN1; SMN2KCNA5NPC1

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-6379931-B1 Chimeric DNA/RNA ribozymes containing propanediol CITY OF HOPE 2002-04-30 US disclosed