SCHEMBL6727749

SCHEMBL6727749

CCCC[S+](CCCC)CC(=O)C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.41
EPHX1 P07099 9/20 0.33
BCHE P06276 1/20 0.33
EPHX2 P34913 2/20 0.33

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
SCHEMBL6731775 0.98 NAAA (0.44) NAAAEPHX1EPHX2
SCHEMBL6549865 0.87 NAAA (0.33) NAAAEPHX2
SCHEMBL6551034 0.85 NAAA (0.35) NAAAEPHX2
Trifluoromethanesulfonic Acid SCHEMBL6549578 0.85 NAAA (0.33) NAAA
Trifluoromethanesulfonic Acid SCHEMBL6549828 0.84 NAAA (0.35) NAAA
SCHEMBL6723131 0.80 CES2 (0.37) NAAAEPHX1
SCHEMBL6550361 0.80 ALDH1A1 (0.39)
SCHEMBL6551033 0.79 ALDH1A1 (0.40) EPHX2
SCHEMBL6549330 0.79
SCHEMBL6732211 0.79 CES2 (0.41) NAAAEPHX1

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
US-20040224251-A1 Positive resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-11 US disclosed