SCHEMBL6897725

SCHEMBL6897725

C=C(OCCC)C(=O)OCCOCCOCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 7/20 0.41
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 5/20 0.35
EPHX2 P34913 1/20 0.35
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CASP1 P29466 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL27734344 1.00 THRB (0.46) THRBMEN1KMT2AHTTMAPT
SCHEMBL28963874 0.91 MEN1 (0.48) THRBMEN1KMT2AHTTMAPT
SCHEMBL8622003 0.90 TSHR (0.52) THRBMEN1KMT2AHTTMAPT
SCHEMBL8815252 0.90 TSHR (0.52) THRBMEN1KMT2AHTTMAPT
SCHEMBL13721419 0.90 TSHR (0.52) THRBMEN1KMT2AHTTMAPT
SCHEMBL27630872 0.89 MEN1 (0.46) THRBMEN1KMT2AHTTMAPT
SCHEMBL28416144 0.89 MEN1 (0.46) THRBMEN1KMT2AHTTMAPT
SCHEMBL27646439 0.89 TSHR (0.41) THRBKMT2ATSHRALDH1A1HSD17B10
SCHEMBL28423063 0.89 MEN1 (0.46) THRBMEN1KMT2AHTTMAPT
SCHEMBL56948 0.87 THRB (0.52) THRBMEN1KMT2AHTTMAPT

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-20040079926-A1 Mixture of polymer and metal compound in solvent; applying to glass sheet NIPPON OIL CORPORATION (JP) 2004-04-29 US disclosed
EP-1363293-A1 IONICALLY CONDUCTING SHEET Nippon Oil Corporation (JP) 2003-11-19 EP disclosed