SCHEMBL6734047

SCHEMBL6734047

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.34
EPHX1 P07099 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL6736712 0.89 NAAA (0.39) NAAAEPHX1ALDH1A1CES2CES1
SCHEMBL6734934 0.88 NAAA (0.45) NAAAEPHX1CES2CES1
SCHEMBL6736720 0.86 NAAA (0.47) NAAAEPHX1
Trifluoromethanesulfonic Acid SCHEMBL6551194 0.85
SCHEMBL6731227 0.85 TDP1 (0.35) EPHX1KDM4EALDH1A1CES2CES1
SCHEMBL6549856 0.84 NAAA (0.32) NAAA
SCHEMBL6549432 0.80 ADORA3 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL6723746 0.79
SCHEMBL6726269 0.78 CA1 (0.30)
SCHEMBL6549709 0.78 NAAA (0.32) NAAAALDH1A1CES2CES1

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