SCHEMBL6728162

SCHEMBL6728162

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
HTT P42858 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
SCHEMBL7538157 0.86 PDK1 (0.32)
Trifluoromethanesulfonic Acid SCHEMBL6551087 0.83
SCHEMBL6726511 0.79 CES2 (0.39) CES2CES1
SCHEMBL6731227 0.79 TDP1 (0.35) CES2CES1
SCHEMBL6723423 0.79 CES2 (0.39) CES2CES1
SCHEMBL6549790 0.78 ADORA3 (0.41) HTT
SCHEMBL6726281 0.78 EPHX1 (0.33)
SCHEMBL6726376 0.78 SMN1; SMN2 (0.35)
SCHEMBL6549406 0.77 CA1 (0.31)
SCHEMBL6734047 0.76 NAAA (0.34) CES2CES1

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