SCHEMBL8979398

SCHEMBL8979398

O=C(CCCCCCCCCCCNc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-])OC(=O)CCCCCCCCCCCNc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 4/20 0.47
KDM4E B2RXH2 2/20 0.47
GSTM2 P28161 1/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.45
PRSS1 P07477 4/20 0.44
HCAR3 P49019 3/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KAT2B Q92831 2/20 0.38

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
SCHEMBL8979405 0.87 HPGD (0.62) THRBHPGDL3MBTL1MAPTKDM4E
SCHEMBL7059270 0.87 HPGD (0.62) THRBHPGDL3MBTL1MAPTKDM4E
SCHEMBL6853076 0.86 GSTM2 (0.55) THRBHPGDL3MBTL1MAPTGSTM2
SCHEMBL8979378 0.80 HCAR3 (0.56) THRBHPGDL3MBTL1MAPTGSTM2
SCHEMBL8868809 0.75 HPGD (0.58) THRBHPGDL3MBTL1MAPTALDH1A1
SCHEMBL1700735 0.75 MAPT (0.62) MAPTKDM4EALDH1A1POLBPRSS1
SCHEMBL7061507 0.74 GSTM2 (0.43) MAPTGSTM2ALDH1A1POLBPRSS1
SCHEMBL6854742 0.74 FOLH1 (0.44) THRBHPGDL3MBTL1GSTM2PRSS1
SCHEMBL8813201 0.73 HCAR3 (0.55) MAPTGSTM2ALDH1A1POLBHCAR3
SCHEMBL27343040 0.72 MAPT (0.73) MAPTKDM4EALDH1A1POLBPRSS1

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
EP-0710225-A1 FLUORESCENCE DETERMINATION OF THE ACTIVITY OF LIPOLYTIC ENZYMES PROGEN Biotechnik GmbH (DE) 1996-05-08 EP disclosed
WO-1995032181-A1 FLUORESCENCE DETERMINATION OF THE ACTIVITY OF LIPOLYTIC ENZYMES PROGEN BIOTECHNIK GMBH (DE) 1995-11-30 WO disclosed