SCHEMBL6735007

SCHEMBL6735007

CCCC(=O)CS(CC)(CC)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
KMT2A Q03164 4/20 0.38
GAA P10253 2/20 0.38
RECQL P46063 2/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ENPP1 P22413 1/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
ALB P02768 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
STAT3 P40763 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36

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
SCHEMBL6723266 0.92 ALDH1A1 (0.41) ALDH1A1KMT2AGAARECQLCA12
SCHEMBL6727480 0.90 ALDH1A1 (0.41) ALDH1A1KMT2AGAACA2ENPP1
SCHEMBL6728632 0.89 ALDH1A1 (0.43) ALDH1A1KMT2AGAACA2LMNA
SCHEMBL6728020 0.89 ALDH1A1 (0.39) ALDH1A1KMT2AGAAENPP1LMNA
SCHEMBL6726082 0.88 ALDH1A1 (0.42) ALDH1A1KMT2AGAARECQLCA2
SCHEMBL6735639 0.85 ALDH1A1 (0.41) ALDH1A1KMT2AGAARECQLCA12
SCHEMBL6727649 0.83 ALDH1A1 (0.39) ALDH1A1KMT2AGAACA12CA2
SCHEMBL6726184 0.83 ALDH1A1 (0.44) ALDH1A1KMT2AGAARECQLCA2
SCHEMBL6722944 0.82 ALDH1A1 (0.40) ALDH1A1KMT2AGAACA2LMNA
SCHEMBL6731255 0.82 CA12 (0.40) ALDH1A1KMT2AGAARECQLCA12

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