SCHEMBL6632783

SCHEMBL6632783

CC(COC(=O)C=CC(=O)OCC(C)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.41
ATM Q13315 1/20 0.36
PKM P14618 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HPGD P15428 1/20 0.32
CCR6 P51684 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
RAB9A P51151 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1615551 1.00 HCAR2 (0.41) HCAR2ATMPKMKMT2AMAPT
SCHEMBL2033070 0.85 ALDH1A1 (0.48) HPGDALDH1A1TP53CYP3A4MAPK1
SCHEMBL11150578 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11152858 0.78 ALDH1A1 (0.37) ALDH1A1
SCHEMBL8607214 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL5611334 0.73 HCAR2 (0.44) HCAR2ATMKMT2AMAPTNPSR1
SCHEMBL5611325 0.73 HCAR2 (0.44) HCAR2ATMKMT2AMAPTNPSR1
SCHEMBL8085681 0.73 HCAR2 (0.44) HCAR2ATMKMT2AMAPTNPSR1
SCHEMBL19371493 0.73 TSHR (0.41) ALDH1A1
SCHEMBL15466427 0.73

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417161-A2 HIGH PERFORMANCE PLASTIC BONDED EXPLOSIVE Textron Systems Corporation (US) 2004-05-12 EP disclosed
US-6673174-B2 CL-20 OXIDIZER BLENDED WITH A BINDER; HIGHER ENERGY DENSITY AND INCREASED PENETRATION POWER AND IMPETUS IN MILITARY WEAPONS AND SIMILAR APPLICATIONS. TEXTRON SYSTEMS CORPORATION 2004-01-06 US disclosed
WO-2003064351-A2 HIGH PERFORMANCE PLASTIC BONDED EXPLOSIVE TEXTRON SYSTEMS CORPORATION (US) 2003-08-07 WO disclosed
US-20030062103-A1 High performance plastic bonded explosive TEXTRON SYSTEMS CORPORATION 2003-04-03 US disclosed