SCHEMBL13413675

SCHEMBL13413675

CCNC(=O)OCCn1c(=O)n(CCOC(=O)NCC)c(=O)n(CCOC(=O)NCC)c1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.47
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA4 P43681 1/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 8/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
GLA P06280 1/20 0.40
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL13413686 0.88 CREBBP (0.40) CREBBPCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13413674 0.82 ACHE (0.42) ACHE
SCHEMBL13411705 0.81 CHRNB2 (0.47) CREBBPCHRNB2CHRNA4KDM4EGAA
SCHEMBL13413673 0.81 MEN1 (0.43) MEN1KMT2AACHEKDM4EGAA
SCHEMBL12810261 0.80 ACHE (0.45) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL13563420 0.80 ALDH1A1 (0.45) CREBBPMEN1KMT2AKDM4EGAA
SCHEMBL13413672 0.80 CHRNB2 (0.45) CREBBPCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12810406 0.79 ACHE (0.35) CREBBPCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12756267 0.79 ACHE (0.50) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL4141287 0.77 MGLL (0.47) CREBBPCHRNB2CHRNB4CHRNA3CHRNA4

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