SCHEMBL2189609

SCHEMBL2189609

CC(CN1CCOC(C)C1)NC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
GLRA1 P23415 1/20 0.36
PDK1 Q15118 1/20 0.36
POLB P06746 1/20 0.36
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
KDM1A O60341 1/20 0.33
DRD1 P21728 1/20 0.33
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
CBLB Q13191 4/20 0.32
CCKAR P32238 2/20 0.32
KDM4E B2RXH2 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2186751 0.81 CTSK (0.37) GLRA1
SCHEMBL9801239 0.76 PDK1 (0.43) ALDH1A1GLRA1PDK1KDM1ADRD1
SCHEMBL17828068 0.76 PIK3CD (0.42) ALDH1A1GLRA1PDK1KDM1ADRD1
SCHEMBL20921432 0.76 PIK3CD (0.42) ALDH1A1GLRA1PDK1KDM1ADRD1
SCHEMBL18556758 0.76 PIK3CD (0.42) ALDH1A1GLRA1PDK1KDM1ADRD1
SCHEMBL16445720 0.73 ATM (0.46) ALDH1A1GLRA1PDK1KDM1ADRD1
SCHEMBL28864611 0.73 HSD17B10 (0.50) GLRA1PDK1KDM1ADRD1WNT1
SCHEMBL932483 0.73 PDK1 (0.40) GLRA1PDK1KDM1ADRD1KDM4E
SCHEMBL715037 0.73 HSD17B10 (0.50) GLRA1PDK1KDM1ADRD1WNT1
SCHEMBL28864627 0.73 HSD17B10 (0.50) GLRA1PDK1KDM1ADRD1WNT1

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
EP-2341886-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NovaBay Pharmaceuticals, Inc. (US) 2011-07-13 EP disclosed
WO-2010054269-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS, INC. (US) 2010-05-14 WO disclosed