SCHEMBL1462733

SCHEMBL1462733

C=CC(=O)CCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC.O=[N+]([O-])[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.42
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC22A1 O15245 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PPARG P37231 7/20 0.40
PPARA Q07869 2/20 0.40
TRPA1 O75762 1/20 0.40
FBP1 P09467 1/20 0.40

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
SCHEMBL1462759 0.92 SLC22A1 (0.50) FAAHCES2CES1MEN1MAPK1
Bromide SCHEMBL1461564 0.90 ALDH1A1 (0.52) FAAHCES2CES1MEN1MAPK1
Iodide SCHEMBL1461547 0.90 SLC22A1 (0.48) FAAHCES2CES1MEN1MAPK1
SCHEMBL8758532 0.82 FAAH (0.57) FAAHCES2CES1MEN1MAPK1
SCHEMBL21423341 0.82 FAAH (0.57) FAAHCES2CES1MEN1MAPK1
Hydrogen Sulfide SCHEMBL23406476 0.82 TRPA1 (0.52) FAAHCES2CES1MEN1MAPK1
SCHEMBL872361 0.82 FAAH (0.57) FAAHCES2CES1MEN1MAPK1
Hydrogen Sulfide SCHEMBL23406532 0.82 TRPA1 (0.52) FAAHCES2CES1MEN1MAPK1
SCHEMBL12198766 0.82 FAAH (0.57) FAAHCES2CES1MEN1MAPK1
SCHEMBL812162 0.82 FAAH (0.57) FAAHCES2CES1MEN1MAPK1

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
WO-2011034413-A1 A NITRATE SENSOR MIMOS BERHAD (MY) 2011-03-24 WO claimed