SCHEMBL3422249

SCHEMBL3422249

CC(=O)CCCOCCO

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
MAPK1 P28482 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 2/20 0.41
PAOX Q6QHF9 4/20 0.39
ACHE P22303 1/20 0.39
CES2 O00748 1/20 0.39
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.35
SLC15A2 Q16348 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 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
SCHEMBL15223707 0.98 TSHR (0.50) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL28886788 0.98 TSHR (0.50) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL21611167 0.91 MEN1 (0.54) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL1921248 0.90 ALDH1A1 (0.50) TSHRALDH1A1PAOXACHECES2
SCHEMBL18660230 0.87 ALDH1A1 (0.47) TSHRMEN1KMT2ATHRBHTT
Butoxyethanol SCHEMBL7198107 0.86 TSHR (0.65) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL14445051 0.85 PAOX (0.48) TSHRMEN1KMT2ATHRBHTT
SCHEMBL2455107 0.85
SCHEMBL16077491 0.84 GAA (0.50) TSHRMEN1KMT2ATHRBHTT
SCHEMBL18294564 0.83 MEN1 (0.55) TSHRMAPK1MEN1KMT2ATHRB

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-8378006-B2 Composition of decolorable ink and decoloring method GUAM INDUSTRY CORP. (KR) 2013-02-19 US disclosed
US-20100255215-A1 Composition of Decolorable Ink and Decoloring Method GUAM INDUSTRY CORP. (KR) 2010-10-07 US disclosed
WO-2009054621-A2 THE COMPOSITION OF DECOLORABLE INK AND DECOLORING METHOD HAN JONG-SOO (KR) 2009-04-30 WO disclosed