SCHEMBL7464900

SCHEMBL7464900

CCCCOc1ccc2c(c1)C(NS(C)(=O)=O)CC(C)(C)O2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 8/20 0.52
KCNQ1 P51787 8/20 0.52
KCNH2 Q12809 1/20 0.41
PTPN1 P18031 3/20 0.40
TRPV1 Q8NER1 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 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
SCHEMBL6603299 0.84 KCNE1 (0.54) KCNE1KCNQ1TRPV1NPC1RAB9A
SCHEMBL7910522 0.82 KCNE1 (0.43) KCNE1KCNQ1KCNH2PTPN1TRPV1
SCHEMBL6559231 0.81 KCNE1 (0.52) KCNE1KCNQ1KCNH2PTPN1TRPV1
SCHEMBL6935178 0.81 NPC1 (0.44) KCNE1KCNQ1NPC1RAB9AMEN1
SCHEMBL7910178 0.80 KCNE1 (0.42) KCNE1KCNQ1KCNH2PTPN1MTNR1A
SCHEMBL7900359 0.79 KCNE1 (0.41) KCNE1KCNQ1KCNH2KDM4EALDH1A1
SCHEMBL6559918 0.79 TRPV1 (0.38) KCNE1KCNQ1TRPV1KDM4EALDH1A1
SCHEMBL6559916 0.78 TRPV1 (0.42) TRPV1SIRT2
SCHEMBL6559382 0.78 MAPT (0.45) KCNE1KCNQ1TRPV1MTNR1AMTNR1B
SCHEMBL7470852 0.77 KCNE1 (0.47) KCNE1KCNQ1KCNH2PTPN1MTNR1A

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