SCHEMBL6736712

SCHEMBL6736712

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.39
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
EPHX1 P07099 9/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
CYP1A2 P05177 1/20 0.34
EPHX2 P34913 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6734934 0.95 NAAA (0.45) NAAAEPHX1CES2CES1EPHX2
SCHEMBL6736720 0.93 NAAA (0.47) NAAAEPHX1EPHX2MAPTKMT2A
SCHEMBL6734047 0.89 NAAA (0.34) NAAAALDH1A1EPHX1CES2CES1
SCHEMBL6549709 0.87 NAAA (0.32) NAAAALDH1A1HTTCES2CES1
Trifluoromethanesulfonic Acid SCHEMBL6549464 0.86 NAAA (0.31) NAAAMEN1POLBMAPTKMT2A
SCHEMBL6549426 0.83 NAAA (0.37) NAAAEPHX1CES2CES1EPHX2
Trifluoromethanesulfonic Acid SCHEMBL6550634 0.82 NAAA (0.36) NAAACES2CES1CYP1A2MEN1
SCHEMBL6550424 0.82 NAAA (0.39) NAAAEPHX1CES2CES1EPHX2
SCHEMBL6731227 0.82 TDP1 (0.35) ALDH1A1EPHX1CES2CES1EPHX2
SCHEMBL6549856 0.81 NAAA (0.32) NAAAEPHX2

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