SCHEMBL6727780

SCHEMBL6727780

CCCC(=O)C[S+]1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HDAC3 O15379 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC2 Q92769 4/20 0.33
HDAC8 Q9BY41 4/20 0.33
FFAR3 O14843 3/20 0.33
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IAPP P10997 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL6728105 0.98 CES2 (0.36) CES2CES1HDAC3HDAC1HDAC2
SCHEMBL6728650 0.88 CES1 (0.39) CES2CES1TSHRALDH1A1MEN1
SCHEMBL6728033 0.86 KMT2A (0.44) CES2CES1TSHRALDH1A1MEN1
SCHEMBL6723667 0.85 CES1 (0.41) CES2CES1TSHRALDH1A1MEN1
SCHEMBL6728501 0.84 KMT2A (0.47) CES2CES1TSHRALDH1A1MEN1
Trifluoromethanesulfonic Acid SCHEMBL6549348 0.83
SCHEMBL6735177 0.83 KMT2A (0.45) CES2CES1TSHRALDH1A1MEN1
SCHEMBL6551406 0.82 EPHX2 (0.33)
SCHEMBL685964 0.82 TDP1 (0.41) FFAR3TDP1
SCHEMBL6730772 0.82 KMT2A (0.48) CES2CES1TSHRALDH1A1MEN1

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