SCHEMBL15515612

SCHEMBL15515612

O=C(O)CCCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTM2 P28161 1/20 0.76
HRH3 Q9Y5N1 2/20 0.63
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
USP2 O75604 1/20 0.58
HTT P42858 1/20 0.58
RECQL P46063 1/20 0.58
THRB P10828 1/20 0.54
HPGD P15428 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MYC P01106 4/20 0.53
MAX P61244 1/20 0.53
SUCNR1 Q9BXA5 1/20 0.53
IDO1 P14902 1/20 0.52
MIF P14174 1/20 0.52
S1PR4 O95977 1/20 0.52
S1PR1 P21453 1/20 0.52
S1PR3 Q99500 1/20 0.52
S1PR5 Q9H228 1/20 0.52
MAPT P10636 1/20 0.49

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
SCHEMBL31320442 1.00 GSTM2 (0.76) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL285019 1.00 GSTM2 (0.76) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL15516469 1.00 GSTM2 (0.76) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL459120 1.00 GSTM2 (0.76) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL592618 1.00 GSTM2 (0.76) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL14617994 0.95 GSTM2 (0.72) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL30892505 0.91 GSTM2 (0.76) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL30892506 0.91 GSTM2 (0.76) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL17525024 0.90 GSTM2 (0.67) GSTM2HRH3MEN1KMT2AUSP2
SCHEMBL13524165 0.89 GSTM2 (0.74) GSTM2HRH3MEN1KMT2AUSP2

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
US-20150285812-A1 Fluorescence-Labelled Fatty Acids and Uses Thereof SANOFI SA (FR) 2015-10-08 US disclosed
WO-2014037394-A1 FLUORESCENCE-LABELLED FATTY ACIDS AND USES THEREOF SANOFI (FR) 2014-03-13 WO disclosed