SCHEMBL18879746

SCHEMBL18879746

CN1CCOCCOCCN(C)CCOC(C)(C)C(C)(C)OCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
GAA P10253 1/20 0.31
PRKCB P05771 1/20 0.31
PRKCA P17252 1/20 0.31
GSK3B P49841 1/20 0.31
HTT P42858 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
SCHEMBL14799983 0.83 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1GAA
SCHEMBL6033426 0.82 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KDM4ECA12CA7
SCHEMBL21534078 0.82 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KDM4ECA12CA7
SCHEMBL2452972 0.82 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KDM4ECA12CA7
SCHEMBL25148134 0.82 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KDM4ECA12CA7
SCHEMBL24525605 0.82 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KDM4ECA12CA7
SCHEMBL254989 0.82 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KDM4ECA12CA7
SCHEMBL12014324 0.82 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KDM4ECA12CA7
Dioxane SCHEMBL1260650 0.82 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KDM4ECA12CA7
SCHEMBL11337084 0.82 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KDM4ECA12CA7

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-9655982-B2 Formation and uses of europium complexes WAYNE STATE UNIVERSITY (US) 2017-05-23 US disclosed