SCHEMBL7473896

SCHEMBL7473896

COC(=O)CCCCN(C1CC(C)(C)Oc2ccc(C)cc21)S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 2/20 0.33
USP2 O75604 1/20 0.33
TRPV1 Q8NER1 2/20 0.33
KCNE1 P15382 3/20 0.32
KCNQ1 P51787 3/20 0.32
HTT P42858 2/20 0.32
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.30
EPAS1 Q99814 1/20 0.30
SIRT2 Q8IXJ6 2/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL7478336 0.92 MEN1 (0.36) KMT2AMEN1GAAUSP2KCNE1
SCHEMBL7467207 0.89 AKR1B1 (0.33) KMT2AMEN1TRPV1KCNE1KCNQ1
Hydrochloric Acid SCHEMBL8525004 0.89 MEN1 (0.31) KMT2AMEN1TRPV1
SCHEMBL7470193 0.83 KDM4E (0.38) KMT2AMEN1KCNE1KCNQ1MAPT
SCHEMBL7473128 0.81 KCNE1 (0.33) KMT2AMEN1TRPV1KCNE1KCNQ1
SCHEMBL7471976 0.81 KCNE1 (0.33) KMT2AMEN1KCNE1KCNQ1
SCHEMBL7477508 0.76 ALOX15 (0.39) KMT2AMEN1GAAHTTMAPT
SCHEMBL6602312 0.74 MAPT (0.35) KMT2AMEN1TRPV1KCNE1KCNQ1
SCHEMBL6559280 0.74 KCNE1 (0.33) KMT2AMEN1KCNE1KCNQ1MAPT
SCHEMBL7472274 0.72 KCNE1 (0.53) KMT2AMEN1GAAKCNE1KCNQ1

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