SCHEMBL19970840

SCHEMBL19970840

C/C=C/C=C/C1=NC(C)(C)CO1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL8518227 0.86 MAPT (0.49) MAPTSMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL222789 0.73
SCHEMBL11808860 0.69 MAPT (0.64) MAPTSMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL9326308 0.68 MAPT (0.67) MAPTSMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL9326305 0.68 MAPT (0.67) MAPTSMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL11811999 0.67 MAPT (0.54) MAPTSMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL15958689 0.67 FURIN (0.48) MAPTSMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL11810867 0.66 MEN1 (0.49) MAPTSMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL11152547 0.65 MAPT (0.39) MAPTSMN1; SMN2MEN1ALDH1A1MAPK1
SCHEMBL11808112 0.65 ALDH1A1 (0.48) MAPTSMN1; SMN2MEN1ALDH1A1MAPK1

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
EP-3296347-A1 NOVEL DIENE BLOCK FOR USE IN REVERSIBLE CROSSLINKING (HETERO-)DIEL ALDTER POLYMER SYSTEMS Evonik Degussa GmbH (DE) 2018-03-21 EP disclosed