SCHEMBL5093803

SCHEMBL5093803

COc1cc(O)c2c(c1)C(=O)c1cc(O)c(C(C)=O)cc1C2=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
ELANE P08246 3/20 0.58
KDM4E B2RXH2 3/20 0.58
HPGD P15428 2/20 0.58
MAPT P10636 2/20 0.58
GLA P06280 1/20 0.58
ALOX15 P16050 1/20 0.58
CYP3A4 P08684 3/20 0.50
MAPK1 P28482 3/20 0.50
HTT P42858 1/20 0.45
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
IDO1 P14902 1/20 0.44
CYP1A2 P05177 1/20 0.44
ACLY P53396 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 2/20 0.41
LCK P06239 1/20 0.41

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
SCHEMBL28188374 0.85 LCK (0.56) ALDH1A1ELANEKDM4EHPGDMAPT
SCHEMBL16226983 0.81 ELANE (0.83) ALDH1A1ELANEKDM4EHPGDMAPT
SCHEMBL23198984 0.81 ELANE (0.68) ALDH1A1ELANEKDM4EHPGDMAPT
Macrosporin SCHEMBL16227189 0.81 ELANE (0.68) ALDH1A1ELANEKDM4EHPGDMAPT
Macrosporin SCHEMBL30237810 0.81 ELANE (0.68) ALDH1A1ELANEKDM4EHPGDMAPT
SCHEMBL30625943 0.79 ALDH1A1 (0.65) ALDH1A1ELANEKDM4EHPGDMAPT
SCHEMBL16227266 0.77 MAPT (0.67) ALDH1A1ELANEKDM4EHPGDMAPT
SCHEMBL16225846 0.77 ELANE (0.55) ALDH1A1ELANEKDM4EHPGDMAPT
Lunatin SCHEMBL16226694 0.77 ELANE (0.76) ALDH1A1ELANEKDM4EHPGDMAPT
Lunatin SCHEMBL30761640 0.77 ELANE (0.76) ALDH1A1ELANEKDM4EHPGDMAPT

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-2008034207-A1 METHOD FOR PRODUCING SILVER NANOPARTICLES UNIVERSIDADE ESTADUAL DE CAMPINAS - UNICAMP (BR) 2008-03-27 WO disclosed