SCHEMBL7910176

SCHEMBL7910176

CCN(C1CC(C)(C)Oc2ccc(OCCCCC(=O)O)cc21)S(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 8/20 0.47
KCNQ1 P51787 8/20 0.47
KCNH2 Q12809 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GLA P06280 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALK Q9UM73 1/20 0.35
ALB P02768 1/20 0.35
FFAR1 O14842 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35

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
SCHEMBL6600267 0.89 KCNE1 (0.48) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL7900354 0.87 KCNE1 (0.46) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL6603010 0.87 CNR2 (0.43) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL7479185 0.87 KCNE1 (0.53) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL6601715 0.86 KCNE1 (0.42) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL6600820 0.86 KCNE1 (0.47) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL7913683 0.84 KCNE1 (0.36) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL6602717 0.84 KCNE1 (0.43) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL8482616 0.83 KCNE1 (0.49) KCNE1KCNQ1KCNH2MEN1KMT2A
SCHEMBL8476685 0.82 KCNE1 (0.53) 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