SCHEMBL6728050

SCHEMBL6728050

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
EPHX1 P07099 2/20 0.31
HSD11B1 P28845 1/20 0.31
RECQL P46063 1/20 0.31
TSHR P16473 1/20 0.31
PSMB5 P28074 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
SCHEMBL6726565 0.98 CES2 (0.39) CES2CES1POLBSMN1; SMN2HSD17B10
Trifluoromethanesulfonic Acid SCHEMBL6551086 0.84
Trifluoromethanesulfonic Acid SCHEMBL6549400 0.83
SCHEMBL6551051 0.81 NAAA (0.33)
SCHEMBL6549544 0.80 NAAA (0.35)
SCHEMBL6549490 0.78 ALDH1A1 (0.41) POLBHSD17B10TSHR
SCHEMBL6551157 0.78 ALDH1A1 (0.43) POLBHSD17B10GAATSHR
SCHEMBL6549569 0.78 CA2 (0.33)
SCHEMBL6548875 0.78 CA2 (0.33)
SCHEMBL6549900 0.77 CA2 (0.32)

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