SCHEMBL2016086

SCHEMBL2016086

CC(C)(C)c1[c]cccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TDP1 Q9NUW8 4/20 0.44
HSD17B10 Q99714 1/20 0.42
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR35 Q9HC97 1/20 0.39
ALDH1A1 P00352 6/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.37
CA12 O43570 1/20 0.36

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
SCHEMBL709825 0.83 TDP1 (0.42) KMT2AMEN1TDP1HSD17B10TSHR
SCHEMBL8374 0.75 TDP1 (0.54) KMT2AMEN1TDP1HSD17B10TSHR
SCHEMBL667879 0.74 TDP1 (0.44) KMT2AMEN1TDP1HSD17B10TSHR
SCHEMBL8011477 0.73 ALDH1A1 (0.43) KMT2AMEN1TDP1HSD17B10TSHR
SCHEMBL33832 0.72 TDP1 (0.46) KMT2AMEN1TDP1HSD17B10TSHR
SCHEMBL7136437 0.72 TDP1 (0.46) KMT2AMEN1TDP1HSD17B10TSHR
SCHEMBL15639404 0.71 ALDH1A1 (0.46) KMT2AMEN1TDP1HSD17B10ALDH1A1
SCHEMBL2075134 0.71 TDP1 (0.45) KMT2AMEN1TDP1HSD17B10TSHR
SCHEMBL1036583 0.71 TDP1 (0.45) KMT2AMEN1TDP1HSD17B10TSHR
SCHEMBL7907932 0.71 TDP1 (0.45) KMT2AMEN1TDP1HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516517-B1 BLOWN GRADE SHOWING SUPERIOR STIFFNESS, TRANSPARENCY AND PROCESSING BEHAVIOUR BOREALIS AG (AT) 2017-06-21 EP disclosed
EP-2867294-B1 HIGH MELT STRENGTH POLYPROPYLENE OF IMPROVED QUALITY BOREALIS AG (AT) 2017-05-17 EP disclosed
WO-2017068088-A1 HETEROPHASIC COMPOSITION BOREALIS AG (AT) 2017-04-27 WO disclosed
EP-2867294-A1 HIGH MELT STRENGTH POLYPROPYLENE OF IMPROVED QUALITY Borealis AG (AT) 2015-05-06 EP disclosed
WO-2014001394-A1 HIGH MELT STRENGTH POLYPROPYLENE OF IMPROVED QUALITY BOREALIS AG (AT) 2014-01-03 WO disclosed
EP-2516517-A2 BLOWN GRADE SHOWING SUPERIOR STIFFNESS, TRANSPARENCY AND PROCESSING BEHAVIOUR Borealis AG (AT) 2012-10-31 EP disclosed
WO-2011076637-A2 BLOWN GRADE SHOWING SUPERIOR STIFFNESS, TRANSPARENCY AND PROCESSING BEHAVIOUR BOREALIS AG (AT) 2011-06-30 WO disclosed