SCHEMBL1123533

SCHEMBL1123533

CCCCCC(O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 2/20 0.47
TSHR P16473 1/20 0.47
PPARG P37231 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 4/20 0.42
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 3/20 0.41
PPARA Q07869 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.39
TP53 P04637 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
SCHEMBL24865933 0.98 PPARG (0.48) ALDH1A1CYP1A2TSHRPPARGL3MBTL1
SCHEMBL16268111 0.98 PPARG (0.48) ALDH1A1CYP1A2TSHRPPARGL3MBTL1
SCHEMBL1123448 0.98 PPARG (0.48) ALDH1A1CYP1A2TSHRPPARGL3MBTL1
SCHEMBL30867123 0.98 PPARG (0.48) ALDH1A1CYP1A2TSHRPPARGL3MBTL1
SCHEMBL16268231 0.98 PPARG (0.48) ALDH1A1CYP1A2TSHRPPARGL3MBTL1
SCHEMBL10400828 0.95 ALDH1A1 (0.49) ALDH1A1CYP1A2TSHRPPARGL3MBTL1
SCHEMBL17695756 0.90 ALDH1A1 (0.50) ALDH1A1CYP1A2TSHRL3MBTL1KMT2A
SCHEMBL29116460 0.84 CYSLTR2 (0.45) ALDH1A1CYP1A2TSHRL3MBTL1KMT2A
SCHEMBL6683965 0.84 ALDH1A1 (0.44) ALDH1A1CYP1A2TSHRL3MBTL1KMT2A
SCHEMBL30232331 0.84 CYP1A2 (0.49) ALDH1A1CYP1A2TSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1455919-B1 IODINE EXTRACTION METHOD COMMISSARIAT ENERGIE ATOMIQUE (FR) 2011-02-09 EP claimed