SCHEMBL8477178

SCHEMBL8477178

CCCCOc1ccc2c(c1)C(CS(=O)(=O)NOC(C)=O)CC(C)(C)O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 7/20 0.46
KCNQ1 P51787 7/20 0.46
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNH2 Q12809 1/20 0.37
PTPN1 P18031 2/20 0.37
MMP1 P03956 3/20 0.37
MMP9 P14780 2/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MAPT P10636 3/20 0.35
HTT P42858 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
GAA P10253 3/20 0.35

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
SCHEMBL8477140 0.86 KCNE1 (0.49) KCNE1KCNQ1ALDH1A1MAPTHTT
SCHEMBL8477181 0.86 KCNE1 (0.46) KCNE1KCNQ1MTNR1AMTNR1BALDH1A1
SCHEMBL8479952 0.83 KCNE1 (0.44) KCNE1KCNQ1MTNR1AMTNR1BALDH1A1
SCHEMBL7471445 0.82 KCNE1 (0.42) KCNE1KCNQ1MTNR1AMTNR1BALDH1A1
SCHEMBL7464771 0.81 KCNE1 (0.42) KCNE1KCNQ1MTNR1AMTNR1BALDH1A1
SCHEMBL7906983 0.76 MAPT (0.39) KCNE1KCNQ1MTNR1AMTNR1BALDH1A1
SCHEMBL7464900 0.74 KCNE1 (0.52) KCNE1KCNQ1MTNR1AMTNR1BALDH1A1
SCHEMBL7469113 0.73 ALDH1A1 (0.46) KCNE1KCNQ1MTNR1AALDH1A1KDM4E
SCHEMBL8477143 0.73 KCNE1 (0.49) KCNE1KCNQ1ALDH1A1KDM4EHPGD
SCHEMBL8476683 0.72 KCNE1 (0.46) KCNE1KCNQ1ALDH1A1MAPTHTT

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-5955607-A TREATING CARDIOVASCULAR AND GASTROINTESTINAL DISORDERS HOECHST MARION ROUSSEL DEUTSCHLAND (DE) 1999-09-21 US disclosed