SCHEMBL14565609

SCHEMBL14565609

CCO[Si](CCCNC(=O)OCc1cc(COC(=O)NCCC[Si](OCC)(OCC)OCC)cc([N+](=O)[O-])c1)(OCC)OCC

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.42
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
MAPT P10636 2/20 0.39
FAAH O00519 1/20 0.38
HTT P42858 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TGM2 P21980 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
AKR1B1 P15121 1/20 0.35
PKM P14618 2/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL6537376 0.89 HTT (0.44) MAPTFAAHHTTL3MBTL1TGM2
SCHEMBL19895211 0.79 DPP8 (0.53) MGLLDPP8DPP9MAPTHTT
SCHEMBL5477871 0.78 GAA (0.53) MAPTHTTL3MBTL1ALDH1A1KMT2A
SCHEMBL14865306 0.78 PKM (0.54) MAPTHTTL3MBTL1ALDH1A1KMT2A
SCHEMBL2145355 0.78 HTT (0.62) MAPTFAAHHTTL3MBTL1TGM2
SCHEMBL18177917 0.77 KMT2A (0.42) MGLLHTTALDH1A1SMN1; SMN2NPC1
SCHEMBL5478808 0.77 ALDH1A1 (0.40) MGLLDPP8DPP9MAPTFAAH
SCHEMBL14129629 0.76 KMT2A (0.43) MGLLMAPTL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL9609746 0.76 HTT (0.41) MAPTFAAHHTTL3MBTL1TGM2
SCHEMBL28520516 0.75 HTT (0.48) MAPTFAAHHTTL3MBTL1TGM2

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
US-20070059211-A1 TNT sensor containing molecularly imprinted sol gel-derived films THE COLLEGE OF WOOSTER (US) 2007-03-15 US disclosed