SCHEMBL22197942

SCHEMBL22197942

NCCOCCOCCOCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 9/20 0.53
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
SMAD3 P84022 1/20 0.50
KMT2A Q03164 1/20 0.50
PRMT1 Q99873 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TTR P02766 1/20 0.48
ALB P02768 1/20 0.47
RORC P51449 1/20 0.47
KCNH2 Q12809 2/20 0.46
JAK2 O60674 1/20 0.45
MMP14 P50281 1/20 0.44
NT5E P21589 1/20 0.43

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
SCHEMBL20723482 0.92 FTO (0.56) FTOMEN1MAPTHPGDCYP2C19
SCHEMBL24723090 0.91 FTO (0.51) FTOMEN1MAPTHPGDCYP2C19
SCHEMBL25138002 0.91 FTO (0.52) FTOMEN1MAPTHPGDCYP2C19
SCHEMBL16982918 0.89 FTO (0.60) FTOMEN1MAPTHPGDCYP2C19
SCHEMBL23599906 0.89 FTO (0.51) FTOMEN1MAPTHPGDCYP2C19
SCHEMBL23599828 0.88 FTO (0.50) FTOMEN1MAPTHPGDCYP2C19
SCHEMBL995937 0.88 FTO (0.49) FTOMEN1MAPTHPGDCYP2C19
SCHEMBL27087723 0.87 FTO (0.51) FTOMEN1MAPTHPGDCYP2C19
SCHEMBL29924010 0.87 FTO (0.51) FTOMEN1MAPTHPGDCYP2C19
Fluorescein SCHEMBL16975078 0.87 FTO (0.52) FTOMEN1MAPTHPGDCYP2C19

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-2020142228-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-07-09 WO disclosed