SCHEMBL2706386

SCHEMBL2706386

C#CCOCCCCCCCCCCCC.C#CCOCCCCCCCCCCCCO

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HTT P42858 2/20 0.53
THRB P10828 1/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 3/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
USP2 O75604 1/20 0.43
CES2 O00748 1/20 0.41
ACHE P22303 6/20 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
SCHEMBL19519203 0.90 TSHR (0.47) MEN1KMT2AHTTTHRBMAPT
SCHEMBL15096837 0.90 TSHR (0.47) MEN1KMT2AHTTTHRBMAPT
SCHEMBL6548512 0.90 TSHR (0.52) MEN1KMT2AHTTTHRBMAPT
SCHEMBL8027738 0.90 TSHR (0.47) MEN1KMT2AHTTTHRBMAPT
SCHEMBL766216 0.90 TSHR (0.47) MEN1KMT2AHTTTHRBMAPT
SCHEMBL766010 0.90 TSHR (0.47) MEN1KMT2AHTTTHRBMAPT
SCHEMBL8745000 0.90 TSHR (0.47) MEN1KMT2AHTTTHRBMAPT
SCHEMBL2723206 0.90 TSHR (0.52) MEN1KMT2AHTTTHRBMAPT
SCHEMBL9762896 0.90 TSHR (0.52) MEN1KMT2AHTTTHRBMAPT
SCHEMBL7147818 0.90 TSHR (0.47) MEN1KMT2AHTTTHRBMAPT

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-2435031-A1 FUNCTIONAL AMPHIPHILIC MOLECULE OR MACROMOLECULE FORMULATIONS WITH MULTIPLE COMPARTMENTS Université Bordeaux Segalen (FR) 2012-04-04 EP disclosed
WO-2010136676-A1 FUNCTIONAL AMPHIPHILIC MOLECULE OR MACROMOLECULE FORMULATIONS WITH MULTIPLE COMPARTMENTS UNIVERSITE VICTOR SEGALEN BORDEAUX 2 (FR) 2010-12-02 WO disclosed
EP-2231132-A2 METHOD FOR PREPARING NANOPARTICLES BASED ON FUNCTIONAL AMPHIPHILIC MOLECULES OR MACROMOLECULES, AND THE USE THEREOF Université Victor Segalen Bordeaux 2 (FR) 2010-09-29 EP disclosed
WO-2009098404-A2 METHOD FOR PREPARING NANOPARTICLES BASED ON FUNCTIONAL AMPHIPHILIC MOLECULES OR MACROMOLECULES, AND THE USE THEREOF UNIVERSITE VICTOR SEGALEN BORDEEUX 2 (FR) 2009-08-13 WO disclosed