SCHEMBL11445352

SCHEMBL11445352

CCC(C)OC(=O)N(O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.44
ALDH1A1 P00352 8/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
MAPK1 P28482 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL11455515 0.82 GLO1 (0.49) CACNA1CALDH1A1KMT2AMEN1MAPT
SCHEMBL15155861 0.76 MAPT (0.48) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL7195191 0.75 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL1820229 0.73 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL11086328 0.71 GLO1 (0.49) CACNA1CALDH1A1KMT2AMEN1MAPT
SCHEMBL2673151 0.71 CYP2D6 (0.48) CACNA1CALDH1A1KMT2AMEN1CYP2D6
SCHEMBL11745331 0.70 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL27552975 0.69 GAA (0.47) CACNA1CALDH1A1KMT2AMEN1MAPT
SCHEMBL1819726 0.69 MAPK1 (0.45) ALDH1A1KMT2AMEN1L3MBTL1HPGD
SCHEMBL11779893 0.69 GLO1 (0.58) CACNA1CALDH1A1KMT2AMEN1TRPM8

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-4190431-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1980-02-26 US disclosed