SCHEMBL22326245

SCHEMBL22326245

NCCOCCOCCOCCOCCOCCOCCOCCOCCCCNC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.38
EPHX2 P34913 10/20 0.36
CYP2C19 P33261 1/20 0.35
GAA P10253 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRND Q07001 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL22326266 0.98 PAOX (0.41) PAOXEPHX2CYP2C19GAA
SCHEMBL25369676 0.98 PAOX (0.39) PAOXEPHX2CYP2C19GAACHRNA1
SCHEMBL28453694 0.94 TSHR (0.36) PAOXCHRNA1CHRNGCHRNB1CHRND
SCHEMBL12080215 0.94 TSHR (0.36) PAOXCHRNA1CHRNGCHRNB1CHRND
SCHEMBL20819275 0.92 TSHR (0.36) PAOXGAACHRNA1CHRNGCHRNB1
SCHEMBL21069308 0.91 PAOX (0.50) PAOXEPHX2CYP2C19ALDH1A1
SCHEMBL21069585 0.91 PAOX (0.50) PAOXEPHX2CYP2C19ALDH1A1
SCHEMBL22326140 0.89 PAOX (0.52) PAOXCYP2C19GAAALDH1A1
SCHEMBL21071023 0.89 PAOX (0.52) PAOXCYP2C19GAAALDH1A1
SCHEMBL21806080 0.86 PAOX (0.39) PAOXCHRNA1CHRNGCHRNB1CHRND

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-2020162725-A1 TARGET PROTEIN EED DEGRADATION-INDUCING DEGRADUCER, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES RELATED TO EED, EZH2, OR PRC2, COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2020-08-13 WO disclosed