SCHEMBL6726565

SCHEMBL6726565

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

nearest known ligand 0.39

Predicted protein targets (top 14)

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
EPHX1 P07099 3/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
HSD11B1 P28845 1/20 0.33
POLB P06746 1/20 0.33
NAAA Q02083 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PSMB5 P28074 1/20 0.32

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
SCHEMBL6728050 0.98 CES2 (0.36) CES2CES1HDAC8HDAC6EPHX1
Trifluoromethanesulfonic Acid SCHEMBL6549400 0.84
Trifluoromethanesulfonic Acid SCHEMBL6551086 0.82
SCHEMBL6549544 0.81 NAAA (0.35) NAAA
SCHEMBL6551157 0.79 ALDH1A1 (0.43) TSHRALDH1A1POLBHSD17B10
SCHEMBL6551051 0.79 NAAA (0.33) NAAA
SCHEMBL6549900 0.78 CA2 (0.32)
SCHEMBL6551293 0.78 CA2 (0.32)
SCHEMBL6549490 0.77 ALDH1A1 (0.41) TSHRALDH1A1POLBHSD17B10
SCHEMBL6723299 0.77 CES2 (0.44) CES2CES1HDAC8HDAC6EPHX1

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