SCHEMBL2234018

SCHEMBL2234018

COC[C@@H](O)COCC(=O)OC(C)OC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
KMT2A Q03164 2/20 0.40
PTPN7 P35236 1/20 0.40
PTPN12 Q05209 1/20 0.40
PTPN22 Q9Y2R2 1/20 0.40
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37
ADRB3 P13945 2/20 0.37
MGLL Q99685 1/20 0.37

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
SCHEMBL22364451 0.88 HTR2A (0.46) HTR2ABCL9CTNNB1KMT2APTPN7
SCHEMBL22364373 0.87 HTR2A (0.45) HTR2ABCL9CTNNB1KMT2APTPN7
SCHEMBL12348657 0.85 HTR2A (0.40) HTR2ABCL9CTNNB1KMT2APTPN7
SCHEMBL2236767 0.83 HTR2A (0.45) HTR2ABCL9CTNNB1KMT2APTPN7
SCHEMBL12348662 0.81 HTR2A (0.43) HTR2ABCL9CTNNB1KMT2APTPN7
SCHEMBL2235137 0.79 BCL9 (0.56) HTR2ABCL9CTNNB1KMT2APTPN7
SCHEMBL15459741 0.79 HTR2A (0.53) HTR2ABCL9CTNNB1KMT2AGAA
SCHEMBL2232640 0.78 BCL9 (0.51) HTR2ABCL9CTNNB1KMT2APTPN7
SCHEMBL2234610 0.77 BCL9 (0.68) HTR2ABCL9CTNNB1KMT2APTPN7
SCHEMBL30232724 0.76 BCL9 (0.51) HTR2ABCL9CTNNB1KMT2AGAA

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
WO-2011092065-A1 NITRIC OXIDE RELEASING COMPOUNDS FOR THE TREATMENT OF NEUROPHATIC PAIN NICOX S.A. (FR) 2011-08-04 WO disclosed