SCHEMBL14948191

SCHEMBL14948191

OCCOCCOCCOCCOCCOCCOCCOCCS

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
TSHR P16473 2/20 0.62
MAPK1 P28482 1/20 0.62
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 1/20 0.43
APP P05067 1/20 0.31

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
SCHEMBL3909088 1.00 MEN1 (0.69) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL1403746 1.00 MEN1 (0.69) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL29941787 1.00 MEN1 (0.69) MEN1KMT2ATSHRMAPK1THRB
Tetraethylene Glycol SCHEMBL23524451 1.00 MEN1 (0.69) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL61549 0.97
Di(Hydroxyethyl)Ether SCHEMBL1859973 0.97 TSHR (0.67) MEN1KMT2ATSHRMAPK1THRB
Di(Hydroxyethyl)Ether SCHEMBL23524458 0.97 TSHR (0.67) MEN1KMT2ATSHRMAPK1THRB
Ammonia Solution, Strong SCHEMBL28254082 0.94
SCHEMBL28142567 0.94
Tetraethylene Glycol SCHEMBL28289692 0.90 MEN1 (0.73) MEN1KMT2ATSHRMAPK1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160139143-A1 DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY VENTANA MEDICAL SYSTEMS, INC. 2016-05-19 US disclosed
US-9291597-B2 Detecting targets using mass tags and mass spectrometry VENTANA MEDICAL SYSTEMS, INC. (US) 2016-03-22 US disclosed
US-20130122516-A1 DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY VENTANA MEDICAL SYSTEMS, INC. 2013-05-16 US disclosed