SCHEMBL7473047

SCHEMBL7473047

CCCCOc1ccc2c(c1)C(N(CCCOCCO)S(C)(=O)=O)CC(C)(C)O2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 8/20 0.50
KCNQ1 P51787 8/20 0.50
KCNH2 Q12809 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PTPN1 P18031 3/20 0.37
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL7472274 0.93 KCNE1 (0.53) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL8481443 0.90 KCNE1 (0.49) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL7471057 0.87 KCNE1 (0.46) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL7466032 0.86 KCNE1 (0.48) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL8479947 0.86 KCNE1 (0.52) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL6602327 0.86 KCNE1 (0.48) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL6601925 0.85 KCNE1 (0.44) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL8482616 0.85 KCNE1 (0.49) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL6604472 0.84 KCNE1 (0.45) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL6600267 0.83 KCNE1 (0.48) 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-0905131-B1 Sulfonamid-substituted chromans, process for their preparation, their use as medicine, and pharmaceutical preparation containing them AVENTIS PHARMA GMBH (DE) 2002-04-10 EP disclosed
US-5955607-A TREATING CARDIOVASCULAR AND GASTROINTESTINAL DISORDERS HOECHST MARION ROUSSEL DEUTSCHLAND (DE) 1999-09-21 US disclosed
EP-0905131-A1 Sulfonamid-substituted chromans, process for their preparation, their use as medicine, and pharmaceutical preparation containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-03-31 EP disclosed