SCHEMBL7533680

SCHEMBL7533680

CCCC(=O)C[S+](C)C(C)(C)C.Cc1ccccc1S(=O)(=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.33
KMT2A Q03164 4/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PTPN1 P18031 1/20 0.32
ALDH1A1 P00352 5/20 0.32
MAPT P10636 4/20 0.32
NPSR1 Q6W5P4 4/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HCRTR2 O43614 1/20 0.32
CYP2D6 P10635 1/20 0.32
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32

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
SCHEMBL7536510 0.91 P2RX7 (0.36) HSD11B1KMT2AMEN1ALDH1A1MAPT
SCHEMBL7536102 0.90 HSD11B1 (0.35) HSD11B1KMT2AGAAMEN1ESR1
SCHEMBL6551415 0.82 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1MAPTL3MBTL1
SCHEMBL6730722 0.75 CES2 (0.36) ALDH1A1CES2CES1
Trifluoromethanesulfonic Acid SCHEMBL6550962 0.75 CES2 (0.30) CES2CES1
SCHEMBL6550442 0.74 KMT2A (0.39) KMT2AMEN1ALDH1A1MAPTCYP2C19
SCHEMBL6549439 0.73 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1CYP2C19CYP2D6
SCHEMBL6550680 0.72 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1L3MBTL1CYP2C19
SCHEMBL6550895 0.72 EPHX2 (0.33) KMT2AMEN1L3MBTL1CES2CES1
Alcohol SCHEMBL9198849 0.72 GAA (0.43) HSD11B1KMT2AGAAMEN1ESR1

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-20020015913-A1 Chemical amplifying type positive resist composition and sulfonium salt SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-02-07 US disclosed