SCHEMBL4454310

SCHEMBL4454310

C=C(C)C(=O)OCCOCCOCCOCCO.C=C(CC)C(=O)OCCCCCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.65
THRB P10828 2/20 0.50
HTT P42858 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 1/20 0.50
NAAA Q02083 1/20 0.41
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPHX2 P34913 1/20 0.39
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLCO1B3 Q9NPD5 1/20 0.37
SLCO1B1 Q9Y6L6 1/20 0.37

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
Di(Hydroxyethyl)Ether SCHEMBL999353 0.92 TSHR (0.57) TSHRTHRBHTTMEN1KMT2A
SCHEMBL4969152 0.90 TSHR (0.70) TSHRTHRBHTTMEN1KMT2A
Di(Hydroxyethyl)Ether SCHEMBL27625390 0.90 TSHR (0.80) TSHRTHRBHTTMEN1KMT2A
SCHEMBL6563295 0.89 TSHR (0.83) TSHRTHRBHTTNAAAPOLB
SCHEMBL10594310 0.89 TSHR (0.83) TSHRTHRBHTTNAAAPOLB
SCHEMBL4437013 0.87 TSHR (0.80) TSHRTHRBHTTNAAAPOLB
SCHEMBL8983224 0.86 TSHR (0.65) TSHRTHRBHTTMEN1KMT2A
SCHEMBL28858999 0.85 TSHR (0.56) TSHRTHRBHTTMEN1KMT2A
SCHEMBL28123878 0.85 TSHR (0.56) TSHRTHRBHTTMEN1KMT2A
SCHEMBL11355647 0.84 TSHR (0.75) TSHRTHRBHTTNAAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566759-B2 Non-aqueous coating formulation of low volatility GEORGIA-PACIFIC CHEMICALS LLC (US) 2009-07-28 US claimed
US-20070098903-A1 Non-aqueous coating formulation of low volatility GEORGIA-PACIFIC RESINS, INC. (US) 2007-05-03 US claimed