SCHEMBL2188086

SCHEMBL2188086

CN(C)N(C(=O)OCc1ccccc1)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 3/20 0.44
SIGMAR1 Q99720 1/20 0.44
ABCB1 P08183 1/20 0.44
CCR6 P51684 1/20 0.43
PAX8 Q06710 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42

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
SCHEMBL23944461 0.83 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTHPGDMAPK1
SCHEMBL4450501 0.80 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MAPTHPGDMAPK1
SCHEMBL23944892 0.80 ALDH1A1 (0.58) ALDH1A1MAPTHPGDMAPK1L3MBTL1
Benzyl Dimethylcarbamate SCHEMBL14031385 0.79 ALDH1A1 (0.62) ALDH1A1MAPTHPGDMAPK1L3MBTL1
SCHEMBL7694380 0.79 ALDH1A1 (0.62) ALDH1A1MAPTHPGDMAPK1L3MBTL1
Benzyl Dimethylcarbamate SCHEMBL5134244 0.79 ALDH1A1 (0.62) ALDH1A1MAPTHPGDMAPK1L3MBTL1
Benzyl Dimethylcarbamate SCHEMBL20401678 0.79 ALDH1A1 (0.62) ALDH1A1MAPTHPGDMAPK1L3MBTL1
SCHEMBL25901621 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTHPGDMAPK1
SCHEMBL2187788 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTHPGDMAPK1
SCHEMBL3176958 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MAPTHPGDMAPK1

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