SCHEMBL6049111

SCHEMBL6049111

OCCOCCOCCOCCON1CCCNCCCNCCC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CXCR4 P61073 2/20 0.32

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
SCHEMBL7652933 0.76 MEN1 (0.41) MEN1KMT2ATSHRMAPK1
Triethylene Glycol SCHEMBL15413179 0.76 MEN1 (0.69) MEN1KMT2ATSHRMAPK1
SCHEMBL9556920 0.74
Di(Hydroxyethyl)Ether SCHEMBL11145760 0.73 TSHR (0.67) MEN1KMT2ATSHRMAPK1
SCHEMBL7654929 0.72 MEN1 (0.44) MEN1KMT2ATSHRMAPK1
SCHEMBL28630734 0.71
Di(Hydroxyethyl)Ether SCHEMBL6153065 0.71 TSHR (0.62) MEN1KMT2ATSHRMAPK1CXCR4
SCHEMBL27297736 0.69 SLC29A1 (0.36) MEN1KMT2ATSHRMAPK1
SCHEMBL1276025 0.68 KDM4E (0.48) MEN1KMT2ATSHRMAPK1CXCR4
SCHEMBL10526359 0.68 KDM4E (0.48) MEN1KMT2ATSHRMAPK1CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487334-A4 PARAMAGNETIC PARTICLES THAT PROVIDE IMPROVED RELAXIVITY BARNES JEWISH HOSPITAL (US) 2006-10-25 EP claimed
JP-2005521704-A 2005-07-21 JP claimed
EP-1487334-A1 PARAMAGNETIC PARTICLES THAT PROVIDE IMPROVED RELAXIVITY Barnes-Jewish Hospital (US) 2004-12-22 EP claimed
WO-2003082105-A1 PARAMAGNETIC PARTICLES THAT PROVIDE IMPROVED RELAXIVITY BARNES-JEWISH HOSPITAL (US) 2003-10-09 WO claimed