SCHEMBL13413693

SCHEMBL13413693

O=C(NCCO)OCCn1c(=O)n(CCO)c(=O)n(CCOC(=O)NCCO)c1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
ACHE P22303 14/20 0.41
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL13413692 1.00 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL13413672 0.97 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL12810261 0.89 ACHE (0.45) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL12810406 0.88 ACHE (0.35) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL13413687 0.88 ACHE (0.41) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL13413722 0.87 ACHE (0.45) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL13413689 0.86 APEX1 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL13413676 0.84 ACHE (0.42) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL13413706 0.83 ACHE (0.51) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL13133749 0.81 ACHE (0.38) CHRNB2CHRNB4CHRNA3CHRNA4ACHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100071574-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PRINTING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2010-03-25 US disclosed
US-20100071574-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PRINTING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2010-03-25 US disclosed