SCHEMBL4334775

SCHEMBL4334775

CCCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O.Cc1c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 4/20 0.42
MAPT P10636 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TTR P02766 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
RECQL P46063 1/20 0.40
PMP22 Q01453 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRM8 O00222 1/20 0.39
GRM4 Q14833 1/20 0.39

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
SCHEMBL118439 0.88 GPR35 (0.51) GPR35ALDH1A1TDP1MAPTMEN1
SCHEMBL29389790 0.88 GPR35 (0.51) GPR35ALDH1A1TDP1MAPTMEN1
SCHEMBL1069460 0.88 HSP90AA1 (0.38) GPR35ALDH1A1TDP1MAPTMEN1
SCHEMBL4895836 0.80 GPR35 (0.53) GPR35ALDH1A1TDP1MAPTMEN1
SCHEMBL118278 0.80 GPR35 (0.53) GPR35ALDH1A1TDP1MAPTMEN1
SCHEMBL1506606 0.79 GPR35 (0.48) GPR35ALDH1A1TDP1MAPTMEN1
SCHEMBL1854850 0.78 GPR35 (0.47) GPR35ALDH1A1TDP1MAPTMEN1
SCHEMBL29511208 0.78 GPR35 (0.47) GPR35ALDH1A1TDP1MAPTMEN1
Dinoseb SCHEMBL8534879 0.77 TDP1 (0.62) GPR35ALDH1A1TDP1MAPTMEN1
Dinoseb SCHEMBL54664 0.77 TDP1 (0.62) GPR35ALDH1A1TDP1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960485-A4 COMPOSITION AND PROCESS FOR COLORING WOOD OSMOSE INC (US) 2009-07-08 EP disclosed
EP-1960485-A2 COMPOSITION AND PROCESS FOR COLORING WOOD Osmose, Inc. (US) 2008-08-27 EP disclosed
WO-2007070769-A2 COMPOSITION AND PROCESS FOR COLORING WOOD OSMOSE, INC. (US) 2007-06-21 WO disclosed