SCHEMBL6732211

SCHEMBL6732211

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HSD11B1 P28845 1/20 0.38
NAAA Q02083 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TSHR P16473 3/20 0.34
EPHX1 P07099 2/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL6723131 0.98 CES2 (0.37) CES2CES1HSD11B1NAAAALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL6550701 0.84 TSHR (0.32) TSHRL3MBTL1
Trifluoromethanesulfonic Acid SCHEMBL6550449 0.82 TSHR (0.30) TSHRL3MBTL1
SCHEMBL6549501 0.82 NAAA (0.36) NAAATSHREPHX1L3MBTL1
SCHEMBL6731775 0.81 NAAA (0.44) CES2CES1HSD11B1NAAAEPHX1
SCHEMBL6550516 0.79 NAAA (0.34) NAAA
SCHEMBL6727749 0.79 NAAA (0.41) NAAAEPHX1
SCHEMBL6551220 0.78 ALDH1A1 (0.43) ALDH1A1TSHRHSD17B10
SCHEMBL6723299 0.78 CES2 (0.44) CES2CES1HSD11B1NAAAALDH1A1
SCHEMBL6551229 0.76 ALDH1A1 (0.41) ALDH1A1TSHRRAB9A

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