SCHEMBL7470000

SCHEMBL7470000

CC1(C)CC(N(CC(=O)O)S(C)(=O)=O)c2cc(OCc3ccccc3)ccc2O1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 5/20 0.56
KCNQ1 P51787 5/20 0.56
MAOB P27338 1/20 0.45
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABHD6 Q9BV23 2/20 0.39
DAGLA Q9Y4D2 2/20 0.39
HIF1A Q16665 2/20 0.39
ALOX5 P09917 1/20 0.39
KEAP1 Q14145 1/20 0.38

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
SCHEMBL8476702 0.93 KCNE1 (0.54) KCNE1KCNQ1MAOBALDH1A1MAPT
SCHEMBL6602411 0.90 KCNE1 (0.56) KCNE1KCNQ1MAOBALDH1A1MAPT
SCHEMBL8476685 0.89 KCNE1 (0.53) KCNE1KCNQ1MAOBALDH1A1MAPT
SCHEMBL8483181 0.89 KCNE1 (0.56) KCNE1KCNQ1MAOBALDH1A1MAPT
SCHEMBL7473739 0.88 KCNE1 (0.52) KCNE1KCNQ1ALDH1A1MAPTHTT
SCHEMBL8476807 0.88 KCNE1 (0.50) KCNE1KCNQ1MAOBALDH1A1MAPT
SCHEMBL8483318 0.88 KCNE1 (0.50) KCNE1KCNQ1MAOBALDH1A1MAPT
SCHEMBL7479185 0.87 KCNE1 (0.53) KCNE1KCNQ1ALDH1A1MAPTHTT
SCHEMBL7475926 0.86 KCNE1 (0.54) KCNE1KCNQ1MAOBALDH1A1MAPT
SCHEMBL6606045 0.86 KCNE1 (0.53) KCNE1KCNQ1MAOBALDH1A1MAPT

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