SCHEMBL6536784

SCHEMBL6536784

C=C(CCCC)C(=O)O.COCCOCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
THRB P10828 2/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 3/20 0.44
CYP3A4 P08684 3/20 0.35
ABCB11 O95342 1/20 0.35
ADRA2B P18089 1/20 0.35
OPRD1 P41143 1/20 0.35
SCN5A Q14524 1/20 0.35
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPK1 P28482 2/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CASP1 P29466 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
SLCO1B1 Q9Y6L6 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
Di(Hydroxyethyl)Ether SCHEMBL26090179 0.92 TSHR (0.52) MEN1KMT2ATHRBHTTMAPT
Di(Hydroxyethyl)Ether SCHEMBL27600939 0.85 THRB (0.53) MEN1KMT2ATHRBHTTMAPT
Di(Hydroxyethyl)Ether SCHEMBL7561560 0.84 TSHR (0.44) MEN1KMT2ATHRBHTTMAPT
SCHEMBL2229640 0.83 ALDH1A1 (0.39) MEN1KMT2ATSHRCYP3A4ABCB11
SCHEMBL33440 0.83 ALDH1A1 (0.39) MEN1KMT2ATSHRCYP3A4ABCB11
SCHEMBL2796019 0.81 MEN1 (0.44) MEN1KMT2ATHRBHTTMAPT
SCHEMBL8966786 0.81 MEN1 (0.44) MEN1KMT2ATHRBHTTMAPT
SCHEMBL4359174 0.81 THRB (0.40) THRBTSHREPHX2ALDH1A1SMN1; SMN2
SCHEMBL8928146 0.80 ALDH1A1 (0.50) MEN1KMT2ATHRBHTTMAPT
SCHEMBL985177 0.80 TSHR (0.43) MEN1KMT2ATHRBHTTMAPT

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-6830872-B2 Image forming layer containing a fluorine macromolecule having a structural unit derived from monomer containing a double bond, and a hydroxy group, and also contains a polyoxyalkylene acrylate or methacrylate monomer FUJI PHOTO FILM CO., LTD. (JP) 2004-12-14 US disclosed