SCHEMBL7900343

SCHEMBL7900343

CCOC(=O)CCCOc1ccc2c(c1)C(N(CCOC)S(C)(=O)=O)CC(C)(C)O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 6/20 0.43
KCNQ1 P51787 6/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BRD4 O60885 1/20 0.39
KCNH2 Q12809 1/20 0.39
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
PDK2 Q15119 2/20 0.36
P2RY12 Q9H244 1/20 0.36
CYSLTR2 Q9NS75 3/20 0.35
CYSLTR1 Q9Y271 3/20 0.35
FFAR1 O14842 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL7900354 0.91 KCNE1 (0.46) KCNE1KCNQ1MEN1KMT2AKDM4E
SCHEMBL6603289 0.87 KCNE1 (0.44) KCNE1KCNQ1MEN1KMT2AKDM4E
SCHEMBL6601750 0.86 KCNE1 (0.43) KCNE1KCNQ1MEN1KMT2AKDM4E
SCHEMBL6604472 0.86 KCNE1 (0.45) KCNE1KCNQ1MEN1KMT2AKDM4E
SCHEMBL6601635 0.85 KCNE1 (0.40) KCNE1KCNQ1MEN1KMT2AKDM4E
SCHEMBL6604986 0.81 HPGD (0.45) KCNE1KCNQ1MEN1KMT2AKDM4E
SCHEMBL8482616 0.80 KCNE1 (0.49) KCNE1KCNQ1MEN1KMT2AKDM4E
SCHEMBL7910176 0.79 KCNE1 (0.47) KCNE1KCNQ1MEN1KMT2AKDM4E
SCHEMBL6601715 0.79 KCNE1 (0.42) KCNE1KCNQ1MEN1KMT2AKDM4E
SCHEMBL7900347 0.78 ALDH1A1 (0.39) KCNE1KCNQ1MEN1KMT2AKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6177449-B1 CARDIOVASCULAR DISORDERS; ANTIULCER AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-01-23 US disclosed