SCHEMBL7910178

SCHEMBL7910178

CCCS(=O)(=O)NC1CC(C)(C)Oc2ccc(OCCCCC(=O)O)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 7/20 0.42
KCNQ1 P51787 7/20 0.42
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PTPN1 P18031 2/20 0.36
TSHR P16473 1/20 0.36
KCNH2 Q12809 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
PLA2G4B P0C869 2/20 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
SCHEMBL7910522 0.88 KCNE1 (0.43) KCNE1KCNQ1ALDH1A1PTPN1KCNH2
SCHEMBL7900359 0.88 KCNE1 (0.41) KCNE1KCNQ1ALDH1A1GAAKDM4E
SCHEMBL7906977 0.85 CNR2 (0.41) KCNE1KCNQ1ALDH1A1GAAKDM4E
SCHEMBL7913688 0.85 CTSD (0.36) KCNE1KCNQ1ALDH1A1GAAKDM4E
SCHEMBL7908101 0.81 ALDH1A1 (0.45) KCNE1KCNQ1ALDH1A1GAAKDM4E
SCHEMBL7464900 0.80 KCNE1 (0.52) KCNE1KCNQ1MTNR1AMTNR1BALDH1A1
SCHEMBL7909736 0.80 ALDH1A1 (0.47) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL7900347 0.80 ALDH1A1 (0.39) KCNE1KCNQ1ALDH1A1GAAKDM4E
SCHEMBL6559231 0.77 KCNE1 (0.52) KCNE1KCNQ1PTPN1KCNH2SIRT2
SCHEMBL7910164 0.77 SIRT2 (0.39) KCNE1KCNQ1ALDH1A1GAAKDM4E

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-6177449-B1 CARDIOVASCULAR DISORDERS; ANTIULCER AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-01-23 US disclosed