SCHEMBL7478336

SCHEMBL7478336

CCS(=O)(=O)N(CCCCC(=O)OC)C1CC(C)(C)Oc2ccc(C)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
KCNE1 P15382 7/20 0.32
KCNQ1 P51787 7/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
NPSR1 Q6W5P4 3/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL7473128 0.90 KCNE1 (0.33) MEN1KMT2AHIF1AEPAS1KCNE1
SCHEMBL7471976 0.90 KCNE1 (0.33) MEN1KMT2AKCNE1KCNQ1CYP1A2
SCHEMBL7477508 0.84 ALOX15 (0.39) MEN1KMT2AGAAMAPTALDH1A1
SCHEMBL6559280 0.83 KCNE1 (0.33) MEN1KMT2AHIF1AEPAS1KCNE1
SCHEMBL6558683 0.81 KCNE1 (0.36) MEN1KMT2AKCNE1KCNQ1CYP1A2
SCHEMBL7467207 0.81 AKR1B1 (0.33) MEN1KMT2ASMN1; SMN2KCNE1KCNQ1
Hydrochloric Acid SCHEMBL8525004 0.81 MEN1 (0.31) MEN1KMT2A
SCHEMBL6559952 0.80 KCNA5 (0.41) MEN1KMT2AHIF1AEPAS1SMN1; SMN2
SCHEMBL6559927 0.77 KCNA5 (0.41) MEN1KMT2AHIF1AEPAS1KCNE1
SCHEMBL7470195 0.76 KCNE1 (0.46) KCNE1KCNQ1CYP3A4

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