SCHEMBL7906983

SCHEMBL7906983

COCCNS(=O)(=O)CC1CC(C)(C)Oc2ccc(OCCO)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
KCNE1 P15382 6/20 0.38
KCNQ1 P51787 6/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A9 P48067 5/20 0.37
KCNH2 Q12809 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ABL1 P00519 1/20 0.33

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
SCHEMBL8479952 0.82 KCNE1 (0.44) MAPTALDH1A1HTTTAAR1KCNE1
SCHEMBL7471445 0.81 KCNE1 (0.42) MAPTALDH1A1HTTTAAR1KCNE1
SCHEMBL8477181 0.79 KCNE1 (0.46) MAPTALDH1A1HTTTAAR1KCNE1
SCHEMBL7464771 0.79 KCNE1 (0.42) MAPTALDH1A1HTTTAAR1KCNE1
SCHEMBL8477178 0.76 KCNE1 (0.46) MAPTALDH1A1HTTTAAR1KCNE1
SCHEMBL8476683 0.75 KCNE1 (0.46) MAPTALDH1A1HTTTAAR1KCNE1
SCHEMBL6601925 0.74 KCNE1 (0.44) MAPTALDH1A1HTTTAAR1KCNE1
SCHEMBL8477143 0.74 KCNE1 (0.49) MAPTALDH1A1HTTTAAR1KCNE1
SCHEMBL8306392 0.74 KCNE1 (0.43) MAPTALDH1A1HTTTAAR1KCNE1
SCHEMBL7910522 0.74 KCNE1 (0.43) MAPTALDH1A1HTTTAAR1KCNE1

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