SCHEMBL8348162

SCHEMBL8348162

COc1cc(NC(=O)C(=O)Nc2ccc(O)c(O)c2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.55
IMPDH1 P20839 1/20 0.55
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
TRPV1 Q8NER1 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 0.50
MEN1 O00255 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
KLK7 P49862 2/20 0.49
NOX4 Q9NPH5 1/20 0.49
HTT P42858 2/20 0.49
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
KLK14 Q9P0G3 1/20 0.48
KLK5 Q9Y337 1/20 0.48
KDM1A O60341 2/20 0.48
MAOB P27338 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL107966 0.84 SNCA (0.56) GAAPKMMAOB
SCHEMBL4687827 0.83 HTT (0.56) GAAPKMTRPV1SLC22A6SLC22A8
SCHEMBL258201 0.83 SMN1; SMN2 (0.58) PKMTRPV1SLC22A6SLC22A8MEN1
SCHEMBL30675560 0.83 SMN1; SMN2 (0.58) PKMTRPV1SLC22A6SLC22A8MEN1
SCHEMBL8348359 0.83 AURKB (0.64) PKMSLC22A6SLC22A8MEN1RAB9A
SCHEMBL13886074 0.80 TOP1 (0.50) IMPDH2IMPDH1GAAPKMRAB9A
SCHEMBL12058028 0.78 SMN1; SMN2 (0.48) IMPDH2IMPDH1GAAPKMTRPV1
SCHEMBL20679533 0.78 CNR1 (0.55) GAAPKMTRPV1SLC22A6SLC22A8
SCHEMBL30675606 0.78 CNR1 (0.55) GAAPKMTRPV1SLC22A6SLC22A8
SCHEMBL1381244 0.78 TGM2 (0.59) TRPV1CNR1CNR2KDM1A

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-2003101927-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR THE TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SUCH AS ALZHEIMER'S DISEASE, TYPE 2 DIABETES, AND PARKINSON'S DISEASE PROTEOTECH, INC. (US) 2003-12-11 WO disclosed