SCHEMBL4441192

SCHEMBL4441192

O=C(OCc1ccccc1)OC(=O)O[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
TDP1 Q9NUW8 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
LMNA P02545 2/20 0.42
HCAR2 Q8TDS4 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 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
SCHEMBL909807 0.92 ALDH1A1 (0.52) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL48133 0.84 ALDH1A1 (0.63) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL10459697 0.82 ALDH1A1 (0.61) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL27471961 0.80 ALDH1A1 (0.50) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL2033351 0.79 NPC1 (0.41) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL28145122 0.77 ALDH1A1 (0.54) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL28297445 0.77 ALDH1A1 (0.54) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL2537574 0.77 ALDH1A1 (0.59) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL28207255 0.77 ALDH1A1 (0.59) ALDH1A1TDP1KMT2AMAPK1L3MBTL1
SCHEMBL37382 0.76 ALDH1A1 (0.68) ALDH1A1TDP1KMT2AMAPK1L3MBTL1

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-20090215192-A1 Solid-phase affinity-based method for preparing and manipulating an analyte-containing solution STRATOS BIOSYSTEMS, LLC (US) 2009-08-27 US disclosed
WO-2005118129-A1 SOLID-PHASE AFFINITY-BASED METHOD FOR PREPARING AND MANIPULATING AN ANALYTE-CONTAINING SOLUTION STRATOS BIOSYSTEMS, LLC (US) 2005-12-15 WO disclosed