SCHEMBL15028889

SCHEMBL15028889

CC(C)CCOCCOC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.56
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
GAA P10253 2/20 0.46
MAPT P10636 4/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MGLL Q99685 2/20 0.42
ACHE P22303 1/20 0.42
SLC6A4 P31645 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
SCHEMBL6600772 0.92 HTR2A (0.61) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL125510 0.89 HTR2A (0.56) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL10062010 0.89 HTR2A (0.56) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL9846616 0.87 HTR2A (0.58) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL23044637 0.85 HTR2A (0.53) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL12082016 0.85 HTR2A (0.53) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL30232973 0.85 BCL9 (0.57) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL1104745 0.85 HTR2A (0.53) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL30233044 0.85 HTR2A (0.53) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL40213 0.85 HTR2A (0.53) HTR2ABCL9CTNNB1GAAMAPT

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-20130149783-A1 CLEAVABLE MODIFICATIONS TO REDUCIBLE POLY (AMIDO ETHYLENIMINES)S TO ENHANCE NUCLEOTIDE DELIVERY YOCKMAN JAMES WILLIAM (US) 2013-06-13 US disclosed