SCHEMBL1013720

SCHEMBL1013720

NC(=O)OCCOCCOCCOCCO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TSHR P16473 7/20 0.50
MAPK1 P28482 1/20 0.50
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
LMNA P02545 2/20 0.43
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
HTR1A P08908 1/20 0.43
CYP2C19 P33261 1/20 0.43
CHRNA7 P36544 1/20 0.43
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 1/20 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
SCHEMBL2781589 1.00 MEN1 (0.55) MEN1KMT2ATSHRMAPK1CHRM2
SCHEMBL29283281 1.00 MEN1 (0.55) MEN1KMT2ATSHRMAPK1CHRM2
SCHEMBL29009042 1.00 MEN1 (0.55) MEN1KMT2ATSHRMAPK1CHRM2
SCHEMBL28536719 1.00 MEN1 (0.55) MEN1KMT2ATSHRMAPK1CHRM2
SCHEMBL5246994 1.00 MEN1 (0.55) MEN1KMT2ATSHRMAPK1CHRM2
SCHEMBL24835739 0.89 TSHR (0.50) MEN1KMT2ATSHRMAPK1CHRM2
SCHEMBL31591142 0.89 TSHR (0.50) MEN1KMT2ATSHRMAPK1CHRM2
SCHEMBL30552236 0.89 TSHR (0.50) MEN1KMT2ATSHRMAPK1CHRM2
SCHEMBL22326177 0.89 MEN1 (0.48) MEN1KMT2ATSHRMAPK1CHRM2
SCHEMBL22326195 0.89 MEN1 (0.48) MEN1KMT2ATSHRMAPK1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011514423-A 2011-05-06 JP claimed
EP-2271699-A1 BIODEGRADABLE CROSS-LINKED BRANCHED POLY (ALKYLENE IMINES) Egen, Inc. (US) 2011-01-12 EP claimed
WO-2009114854-A1 BIODEGRADABLE CROSS-LINKED BRANCHED POLY (ALKYLENE IMINES) EGEN, INC. (US) 2009-09-17 WO claimed
EP-2271699-A1 BIODEGRADABLE CROSS-LINKED BRANCHED POLY (ALKYLENE IMINES) Egen, Inc. (US) 2011-01-12 EP disclosed
WO-2009114854-A1 BIODEGRADABLE CROSS-LINKED BRANCHED POLY (ALKYLENE IMINES) EGEN, INC. (US) 2009-09-17 WO disclosed