SCHEMBL9540346

SCHEMBL9540346

CCCCCCCCCCCCCCCCCCc1cc2nc3ccc(O)cc3oc-2cc1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.52
ALDH1A1 P00352 4/20 0.44
GAA P10253 3/20 0.44
ERAP1 Q9NZ08 1/20 0.44
SNCA P37840 1/20 0.44
ALOX15 P16050 2/20 0.44
MAPT P10636 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CYP3A4 P08684 2/20 0.43
HTT P42858 2/20 0.43
TP53 P04637 1/20 0.43
ALOX5 P09917 1/20 0.43
TYR P14679 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PPARG P37231 1/20 0.42
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
KDM4E B2RXH2 4/20 0.39

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
SCHEMBL3862519 1.00 APP (0.52) APPALDH1A1GAAERAP1SNCA
SCHEMBL532189 0.87 APP (0.55) APPALDH1A1GAAERAP1SNCA
SCHEMBL3862517 0.85 MAPT (0.55) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL24767122 0.83 APP (0.53) APPALDH1A1GAASNCAMAPT
SCHEMBL327849 0.76 APP (0.63) APPALDH1A1GAASNCAMAPT
SCHEMBL9538491 0.75 PTPN1 (0.50) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL9539379 0.75 PTPN1 (0.50) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL6595318 0.75 MAPT (0.50) APPALDH1A1GAAERAP1ALOX15
Decanoic Acid SCHEMBL6708176 0.75 APP (0.68) APPALDH1A1GAAHTTTSHR
Octanoic Acid SCHEMBL21043903 0.75 APP (0.68) APPALDH1A1GAAHTTTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5242805-A Useful in directingcells producing enzymes that hydrolyze the glycoside MOLECULAR PROBES, INC. (US) 1993-09-07 US disclosed
WO-1993004074-A1 LONG WAVELENGTH LIPOPHILIC FLUOROGENIC GLYCOSIDASE SUBSTRATES MOLECULAR PROBES, INC. (US) 1993-03-04 WO disclosed