SCHEMBL8979405

SCHEMBL8979405

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.62
THRB P10828 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MAPT P10636 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
GSTM2 P28161 1/20 0.49
HCAR3 P49019 3/20 0.47
LMNA P02545 1/20 0.47
ATM Q13315 1/20 0.47
PRSS1 P07477 4/20 0.46
SIRT5 Q9NXA8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL7059270 1.00 HPGD (0.62) HPGDTHRBL3MBTL1MAPTMEN1
SCHEMBL6853076 0.89 GSTM2 (0.55) HPGDTHRBL3MBTL1MAPTGSTM2
SCHEMBL8868809 0.88 HPGD (0.58) HPGDTHRBL3MBTL1MAPTMEN1
SCHEMBL8979398 0.87 THRB (0.48) HPGDTHRBL3MBTL1MAPTMEN1
SCHEMBL8749882 0.82 HPGD (0.54) HPGDTHRBL3MBTL1MAPTMEN1
SCHEMBL8979378 0.82 HCAR3 (0.56) HPGDTHRBL3MBTL1MAPTTDP1
SCHEMBL6036954 0.82 MAPT (0.52) HPGDTHRBL3MBTL1MAPTMEN1
SCHEMBL4359815 0.81 MAPT (0.63) HPGDTHRBL3MBTL1MAPTMEN1
SCHEMBL29928397 0.80 MAPT (0.63) HPGDTHRBL3MBTL1MAPTMEN1
SCHEMBL37830 0.80 MAPT (0.63) HPGDTHRBL3MBTL1MAPTMEN1

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