SCHEMBL7777622

SCHEMBL7777622

CCCCOCCOCCO.CCCCOCCOCCOC(C)=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.65
ALDH1A1 P00352 5/20 0.63
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
THRB P10828 1/20 0.59
HTT P42858 1/20 0.59
MAPT P10636 1/20 0.59
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 2/20 0.44
USP2 O75604 1/20 0.44
CASP1 P29466 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
ACHE P22303 1/20 0.42
EPHX2 P34913 1/20 0.42
CES2 O00748 1/20 0.41
ATM Q13315 1/20 0.39
DGKA P23743 1/20 0.38

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
SCHEMBL1401440 1.00 TSHR (0.65) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL273114 1.00 TSHR (0.65) TSHRALDH1A1MEN1KMT2ATHRB
Di(Hydroxyethyl)Ether SCHEMBL13516981 1.00 TSHR (0.65) TSHRALDH1A1MEN1KMT2ATHRB
Acetic Acid Butyl Ester SCHEMBL3052242 0.96 ALDH1A1 (0.69) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL15136261 0.96 TSHR (0.65) TSHRALDH1A1MEN1KMT2ATHRB
Butoxyethanol SCHEMBL14157136 0.96 TSHR (0.65) TSHRALDH1A1MEN1KMT2ATHRB
SCHEMBL18285694 0.95 MEN1 (0.69) TSHRALDH1A1MEN1KMT2ATHRB
2-Ethoxyethanol SCHEMBL17451413 0.95 ALDH1A1 (0.66) TSHRALDH1A1MEN1KMT2ATHRB
Butoxyethanol SCHEMBL1497994 0.95 ALDH1A1 (0.66) TSHRALDH1A1MEN1KMT2ATHRB
Di(Hydroxyethyl)Ether SCHEMBL3926646 0.95 MEN1 (0.69) TSHRALDH1A1MEN1KMT2ATHRB

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
EP-1126497-A1 PLASMA DISPLAY PANEL PRODUCTION METHOD SUITABLE FOR PRODUCING HIGH-IMAGE-QUALITY PLASMA DISPLAY PANEL, PRODUCTION DEVICE AND FLUORESCENT INK MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2001-08-22 EP disclosed
EP-0141381-B1 IMPROVED ZINC RICH COATINGS UNION CARBIDE CORPORATION (US) 1987-03-04 EP disclosed