SCHEMBL13627807

SCHEMBL13627807

CC#CCCOCCOCCO

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.40
APP P05067 5/20 0.34

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
SCHEMBL12694292 0.98
SCHEMBL10126598 0.86 MEN1 (0.48) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL15241267 0.81 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL16328923 0.78 CA2 (0.32)
SCHEMBL12086384 0.78 ALDH1A1 (0.36) TSHRTHRBALDH1A1
SCHEMBL15862119 0.76 TSHR (0.48) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL3641016 0.75 MEN1 (0.34) MEN1KMT2ATHRBHTTMAPT
SCHEMBL7856789 0.75
Tetraethylene Glycol SCHEMBL28335739 0.73 MEN1 (0.73) MEN1KMT2ATSHRMAPK1THRB
Triethylene Glycol SCHEMBL27836955 0.73 MEN1 (0.85) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612153-B2 conjugate polymer drugs; endcapped polyethers; nontoxic, biocompatible, non-immunogenic, soluble in water and other solvents INTEZYNE TECHNOLOGIES, INC. (US) 2009-11-03 US disclosed