SCHEMBL28111801

SCHEMBL28111801

CCOC(=O)c1[nH]c2ccccc2c1NC(=O)OC(C)(C)C

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.74
ALDH1A1 P00352 4/20 0.74
HPGD P15428 3/20 0.74
TSHR P16473 2/20 0.69
HSD17B10 Q99714 2/20 0.69
MAPT P10636 6/20 0.65
GAA P10253 2/20 0.64
F2 P00734 1/20 0.64
HTT P42858 1/20 0.62
RAB9A P51151 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
TP53 P04637 1/20 0.61

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
SCHEMBL7833634 0.84 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL8117886 0.83 KDM4E (1.00) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL9133608 0.81 MAPT (0.83) KDM4EALDH1A1HPGDTSHRHSD17B10
Hydrochloric Acid SCHEMBL31682859 0.80 KDM4E (0.73) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL16896204 0.78 KDM4E (1.00) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL20769964 0.77 KDM4E (0.57) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL2807131 0.77 KDM4E (0.65) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL2348593 0.76 KDM4E (0.60) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL6257352 0.76 MAPT (0.82) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL16896172 0.76 KDM4E (0.76) KDM4EALDH1A1HPGDTSHRHSD17B10

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
CN-106103453-A It is condensed 5 oxazolidinone derivatives 大日本住友制药株式会社 2016-11-09 CN disclosed