SCHEMBL6604472

SCHEMBL6604472

COCCN(C1CC(C)(C)Oc2ccc(OCCCCO)cc21)S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 8/20 0.45
KCNQ1 P51787 8/20 0.45
KCNH2 Q12809 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN1 P18031 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CNR2 P34972 1/20 0.33
HTT P42858 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
GAA P10253 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
PNLIP P16233 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 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
SCHEMBL6601925 0.94 KCNE1 (0.44) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL7472274 0.89 KCNE1 (0.53) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL6600267 0.89 KCNE1 (0.48) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL6603289 0.88 KCNE1 (0.44) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL6601635 0.87 KCNE1 (0.40) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL6601750 0.87 KCNE1 (0.43) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL7466032 0.86 KCNE1 (0.48) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL7900343 0.86 KCNE1 (0.43) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL6606045 0.84 KCNE1 (0.53) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL7473047 0.84 KCNE1 (0.50) KCNE1KCNQ1KCNH2MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906911-B1 Sulfonamid-substituted chromane derivatives (K+channel-blocker), process for their preparation, their use as drugsand pharmaceutical compositions containing them AVENTIS PHARMA GMBH (DE) 2004-04-28 EP disclosed
US-6177449-B1 CARDIOVASCULAR DISORDERS; ANTIULCER AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-01-23 US disclosed
EP-0906911-A1 Sulfonamid-substituted chromane derivatives (K+channel-blocker), process for their preparation, their use as drugsand pharmaceutical compositions containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-04-07 EP disclosed