SCHEMBL8893358

SCHEMBL8893358

O=C(O)CCCCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 4/20 0.62
FTO Q9C0B1 8/20 0.61
JAK2 O60674 1/20 0.57
NQO1 P15559 1/20 0.56
TTR P02766 1/20 0.55
KEAP1 Q14145 1/20 0.54
NR1H2 P55055 1/20 0.54
MIF P14174 1/20 0.51
FOLH1 Q04609 1/20 0.49
DRD1 P21728 1/20 0.49
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
SMAD3 P84022 1/20 0.48
KMT2A Q03164 1/20 0.48
PRMT1 Q99873 1/20 0.48

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
SCHEMBL22863319 0.99 NAALAD2 (0.63) NAALAD2FTOJAK2NQO1TTR
SCHEMBL15045059 0.93 FTO (0.61) NAALAD2FTOJAK2NQO1TTR
SCHEMBL12754623 0.93 FTO (0.65) NAALAD2FTOJAK2NQO1TTR
SCHEMBL18872864 0.92 FTO (0.65) NAALAD2FTOJAK2NQO1TTR
SCHEMBL29353892 0.89 FTO (0.63) NAALAD2FTOJAK2NQO1TTR
SCHEMBL991216 0.89 FTO (0.63) NAALAD2FTOJAK2NQO1TTR
SCHEMBL15744221 0.88 FTO (0.64) NAALAD2FTOJAK2NQO1TTR
SCHEMBL20729848 0.88 FTO (0.66) NAALAD2FTOJAK2NQO1TTR
SCHEMBL25711649 0.88 NAALAD2 (0.60) NAALAD2FTOJAK2NQO1TTR
SCHEMBL16602999 0.87 NAALAD2 (0.60) NAALAD2FTOJAK2NQO1TTR

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-5681821-A DETECTING PROTEASE IN CELLS GEORGIA TECH RESEARCH CORP. (US) 1997-10-28 US disclosed