SCHEMBL7913683

SCHEMBL7913683

CCN(C1CC(C)(C)Oc2ccc(OC(C)CCC(=O)O)cc21)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 8/20 0.36
KCNQ1 P51787 8/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
HTT P42858 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
KCNH2 Q12809 1/20 0.33
GAA P10253 4/20 0.32
KDM4E B2RXH2 3/20 0.32
GLA P06280 3/20 0.32
HPGD P15428 2/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 1/20 0.32
CTSD P07339 2/20 0.31
BACE1 P56817 2/20 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
SCHEMBL6602456 0.79 MAPT (0.39) KCNE1KCNQ1MEN1KMT2AALDH1A1
SCHEMBL6602327 0.79 KCNE1 (0.48) KCNE1KCNQ1MEN1KMT2AALDH1A1
SCHEMBL7913688 0.78 CTSD (0.36) KCNE1KCNQ1ALDH1A1MAPTHTT
SCHEMBL6600267 0.77 KCNE1 (0.48) KCNE1KCNQ1MEN1KMT2AALDH1A1
SCHEMBL7479185 0.77 KCNE1 (0.53) KCNE1KCNQ1MEN1KMT2AALDH1A1
SCHEMBL6600854 0.76 KCNE1 (0.46) KCNE1KCNQ1MEN1KMT2AALDH1A1
SCHEMBL6600820 0.76 KCNE1 (0.47) KCNE1KCNQ1MEN1KMT2AALDH1A1
SCHEMBL6601917 0.75 ALDH1A1 (0.45) KCNE1KCNQ1MEN1KMT2AALDH1A1
SCHEMBL6602717 0.75 KCNE1 (0.43) KCNE1KCNQ1MEN1KMT2AALDH1A1
SCHEMBL6603004 0.74 HPGD (0.45) KCNE1KCNQ1MEN1KMT2AALDH1A1

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