SCHEMBL6728650

SCHEMBL6728650

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.39
CES2 O00748 5/20 0.39
ALDH1A1 P00352 3/20 0.37
TP53 P04637 1/20 0.37
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA1 P00915 1/20 0.35
HAO1 Q9UJM8 1/20 0.33
IAPP P10997 1/20 0.33
NAAA Q02083 1/20 0.33
AKR1B1 P15121 1/20 0.32
TSHR P16473 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
SLC22A8 Q8TCC7 1/20 0.31
GPR84 Q9NQS5 1/20 0.31

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
SCHEMBL6723667 0.98 CES1 (0.41) CES1CES2ALDH1A1TP53KMT2A
SCHEMBL6728033 0.94 KMT2A (0.44) CES1CES2ALDH1A1KMT2AMAPT
SCHEMBL6728501 0.92 KMT2A (0.47) CES1CES2ALDH1A1KMT2AMAPT
SCHEMBL6735177 0.92 KMT2A (0.45) CES1CES2ALDH1A1KMT2AMAPT
SCHEMBL6730772 0.90 KMT2A (0.48) CES1CES2ALDH1A1KMT2AMAPT
SCHEMBL6727780 0.88 CES2 (0.35) CES1CES2ALDH1A1KMT2AL3MBTL1
SCHEMBL6551534 0.86 CES1 (0.33) CES1CES2CA1
SCHEMBL6728105 0.85 CES2 (0.36) CES1CES2ALDH1A1IAPPTSHR
Trifluoromethanesulfonic Acid SCHEMBL6550468 0.84 KCNH2 (0.33) CES1CES2KMT2AMEN1CA1
SCHEMBL6550408 0.84 CES1 (0.34) CES1CES2ALDH1A1TP53MAPT

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