SCHEMBL6726511

SCHEMBL6726511

C[S+](CC(=O)C1CCCC1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
EPHX1 P07099 2/20 0.33
HSD11B1 P28845 2/20 0.33
RECQL P46063 1/20 0.33
NAAA Q02083 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL6723423 1.00 CES2 (0.39) CES2CES1HDAC8HDAC6ALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL7161499 0.84
Trifluoromethanesulfonic Acid SCHEMBL7159777 0.84
SCHEMBL7160025 0.81 NAAA (0.35) NAAA
SCHEMBL6723299 0.81 CES2 (0.44) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL6728162 0.79 CES2 (0.32) CES2CES1
SCHEMBL6728663 0.79 ALDH1A1 (0.43) ALDH1A1TSHRHSD17B10GAA
SCHEMBL6735792 0.79 ALDH1A1 (0.43) ALDH1A1TSHRHSD17B10GAA
SCHEMBL6731152 0.79 CES2 (0.40) CES2CES1HDAC8HDAC6ALDH1A1
SCHEMBL6734007 0.78

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