SCHEMBL6233474

SCHEMBL6233474

CCCCc1ccc([N+](=O)[O-])c(OC(=O)O)c1O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ESR1 P03372 1/20 0.40
KMT2A Q03164 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
HCAR3 P49019 3/20 0.36
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
FBP1 P09467 1/20 0.36
PLA2G4B P0C869 1/20 0.35
TYR P14679 1/20 0.35
MGLL Q99685 1/20 0.35

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
SCHEMBL982812 0.83 TYR (0.42) ALDH1A1TDP1KMT2AMAPTTYR
SCHEMBL5676911 0.82 TYR (0.41) ALDH1A1TYR
SCHEMBL5678266 0.80 TYR (0.47) TDP1KMT2AMAPTTYR
SCHEMBL5678239 0.80 TYR (0.47) TDP1KMT2AMAPTTYR
SCHEMBL5680839 0.80 PRKCI (0.44) ALDH1A1TYR
SCHEMBL5676020 0.80 PRKCI (0.44) ALDH1A1TYR
SCHEMBL6233468 0.80 ALDH1A1 (0.46) ALDH1A1TDP1ESR1GAAMAPT
SCHEMBL5678246 0.79 TYR (0.43) ALDH1A1TYR
SCHEMBL5586780 0.79 TRPV1 (0.39) ALDH1A1TDP1ESR1KMT2ATRPV1
SCHEMBL5677199 0.79 TYR (0.49) TDP1KMT2AMAPTTYR

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
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO disclosed