SCHEMBL809246

SCHEMBL809246

CCCCCC(CCCCC)Nc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 4/20 0.52
ALOX12 P18054 4/20 0.52
ALOX15 P16050 3/20 0.52
TSHR P16473 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
CYP3A4 P08684 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 1/20 0.52
THRB P10828 1/20 0.52
RECQL P46063 1/20 0.52
ATM Q13315 1/20 0.52
MAPT P10636 4/20 0.49
MAPK1 P28482 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45

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
SCHEMBL5304936 0.98 ALDH1A1 (0.50) ALDH1A1HSD17B10ALOX12ALOX15TSHR
SCHEMBL809800 0.95 ALDH1A1 (0.47) ALDH1A1HSD17B10ALOX12ALOX15TSHR
SCHEMBL18896255 0.93 TDP1 (0.45) ALDH1A1HSD17B10ALOX12ALOX15TSHR
SCHEMBL809184 0.92 ALDH1A1 (0.49) ALDH1A1HSD17B10ALOX12ALOX15TSHR
SCHEMBL13991736 0.92 ALDH1A1 (0.51) ALDH1A1HSD17B10ALOX12ALOX15TSHR
SCHEMBL23861793 0.91 HDAC8 (0.44) ALDH1A1TDP1HDAC8HDAC3HDAC6
SCHEMBL4688472 0.91 HDAC8 (0.44) ALDH1A1TDP1HDAC8HDAC3HDAC6
SCHEMBL20987622 0.91 HDAC8 (0.44) ALDH1A1TDP1HDAC8HDAC3HDAC6
SCHEMBL21499101 0.91 HDAC8 (0.44) ALDH1A1TDP1HDAC8HDAC3HDAC6
SCHEMBL25124425 0.91 ENPP2 (0.43) ALDH1A1HSD17B10TDP1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8062551-B2 Antiozonant blends CHEMTURA CORPORATION (US) 2011-11-22 US claimed
EP-2013273-B1 ANTIOZONANT BLENDS CHEMTURA CORP (US) 2011-11-16 EP claimed
WO-2011130994-A1 MULTI-USER CHANNEL ESTIMATION METHOD AND DEVICE 中兴通讯股份有限公司 (CN) 2011-10-27 WO claimed
EP-2013273-A1 ANTIOZONANT BLENDS CHEMTURA CORPORATION (US) 2009-01-14 EP claimed
WO-2007130262-A1 ANTIOZONANT BLENDS CHEMTURA CORPORATION (US) 2007-11-15 WO claimed
US-20070260000-A1 Antiozonant blends ADDIVANT USA, LLC 2007-11-08 US claimed
US-8062551-B2 Antiozonant blends CHEMTURA CORPORATION (US) 2011-11-22 US disclosed
EP-2013273-B1 ANTIOZONANT BLENDS CHEMTURA CORP (US) 2011-11-16 EP disclosed
WO-2011130994-A1 MULTI-USER CHANNEL ESTIMATION METHOD AND DEVICE 中兴通讯股份有限公司 (CN) 2011-10-27 WO disclosed
EP-2013273-A1 ANTIOZONANT BLENDS CHEMTURA CORPORATION (US) 2009-01-14 EP disclosed
WO-2007130262-A1 ANTIOZONANT BLENDS CHEMTURA CORPORATION (US) 2007-11-15 WO disclosed
US-20070260000-A1 Antiozonant blends ADDIVANT USA, LLC 2007-11-08 US disclosed