SCHEMBL6516909

SCHEMBL6516909

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.34
RECQL P46063 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
BLM P54132 1/20 0.32
WRN Q14191 1/20 0.32
HIF1A Q16665 1/20 0.32
POLB P06746 1/20 0.31
KMT2A Q03164 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
SCHEMBL11432862 0.82 ALDH1A1 (0.39) ALDH1A1KMT2A
SCHEMBL19258739 0.79 NAAA (0.33) NAAARECQLALDH1A1CYP1A2HPGD
SCHEMBL28635287 0.78 DGKA (0.37) ALDH1A1CYP1A2KMT2A
SCHEMBL6450202 0.77 RECQL (0.36) NAAARECQLALDH1A1CYP1A2HPGD
SCHEMBL7158605 0.77 LMNA (0.43) NAAARECQLALDH1A1CYP1A2HPGD
SCHEMBL15799688 0.77 THRB (0.41) ALDH1A1
SCHEMBL15805828 0.77 THRB (0.46) ALDH1A1HPGDHIF1A
SCHEMBL28645178 0.73 PAM (0.37) ALDH1A1KMT2A
SCHEMBL9814483 0.73 THRB (0.46) ALDH1A1HPGDHIF1A
SCHEMBL27974395 0.72

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-1560486-A2 DECONTAMINATING SYSTEMS CONTAINING REACTIVE NANOPARTICLES AND BIOCIDES Nanoscale Materials, Inc. (US) 2005-08-10 EP disclosed
US-6827766-B2 Decontaminating systems containing reactive nanoparticles and biocides UNITED STATES AIR FORCE 2004-12-07 US disclosed
WO-2004032624-A2 DECONTAMINATING SYSTEMS CONTAINING REACTIVE NANOPARTICLES AND BIOCIDES NANOSCALE MATERIALS, INC. (US) 2004-04-22 WO disclosed
US-20040067159-A1 Decontaminating systems containing reactive nanoparticles and biocides TIMILON CORPORATION 2004-04-08 US disclosed