SCHEMBL6472736

SCHEMBL6472736

CC(C)(C)OC(=O)c1nc2ccc(C(=O)O)cc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.57
ESR2 Q92731 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.50
PIN1 Q13526 1/20 0.50
MLKL Q8NB16 3/20 0.49
APEX1 P27695 1/20 0.48
CHEK2 O96017 5/20 0.47
NR4A2 P43354 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EGLN1 Q9GZT9 1/20 0.45

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
SCHEMBL6472733 0.89 TDP1 (0.44) HSP90AA1ESR2TDP1SMN1; SMN2NPSR1
SCHEMBL2557494 0.82 HRH4 (0.53) TDP1SMN1; SMN2PIN1APEX1ALDH1A1
SCHEMBL3104404 0.81 HSP90AA1 (0.61) HSP90AA1ESR2TDP1SMN1; SMN2NPSR1
SCHEMBL27552206 0.79 XDH (0.52) SMN1; SMN2NPSR1ALDH1A1MAPK1KDM4E
SCHEMBL13217181 0.78 ALDH1A1 (0.59) TDP1SMN1; SMN2ALDH1A1MAPK1KDM4E
SCHEMBL13217185 0.78 ALDH1A1 (0.53) TDP1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL31721205 0.78 LCK (0.69) HSP90AA1ESR2TDP1SMN1; SMN2NPSR1
SCHEMBL28845532 0.77 HSP90AA1 (0.62) HSP90AA1ESR2TDP1SMN1; SMN2NPSR1
SCHEMBL14336548 0.76 SMN1; SMN2 (0.73) HSP90AA1ESR2TDP1SMN1; SMN2NPSR1
SCHEMBL6947975 0.75 HRH3 (0.52) HSP90AA1ESR2TDP1SMN1; SMN2CHEK2

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-2005023986-A2 MICRORNA AS LIGANDS AND TARGET MOLECULES ISIS PHARMACEUTICALS, INC. (US) 2005-03-17 WO disclosed