SCHEMBL6731775

SCHEMBL6731775

CCCC[S+](CCCC)CC(=O)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.44
EPHX1 P07099 9/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CYP1A2 P05177 1/20 0.35
EPHX2 P34913 2/20 0.35
HSD11B1 P28845 1/20 0.34

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
SCHEMBL6727749 0.98 NAAA (0.41) NAAAEPHX1EPHX2
SCHEMBL6551034 0.87 NAAA (0.35) NAAAEPHX2
Trifluoromethanesulfonic Acid SCHEMBL6549828 0.86 NAAA (0.35) NAAACYP1A2
SCHEMBL6549865 0.85 NAAA (0.33) NAAAEPHX2
Trifluoromethanesulfonic Acid SCHEMBL6549578 0.84 NAAA (0.33) NAAA
SCHEMBL6732211 0.81 CES2 (0.41) NAAAEPHX1CES2CES1HSD11B1
SCHEMBL6551033 0.81 ALDH1A1 (0.40) EPHX2
SCHEMBL6550552 0.80 NAAA (0.31) NAAA
SCHEMBL6723131 0.79 CES2 (0.37) NAAAEPHX1CES2CES1HSD11B1
SCHEMBL6550361 0.79 ALDH1A1 (0.39)

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