SCHEMBL3344718

SCHEMBL3344718

CCOC(OCC)C([NH])=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
LMNA P02545 2/20 0.38
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 1/20 0.35
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
SOAT1 P35610 1/20 0.33
TRPA1 O75762 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
PTGS2 P35354 1/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL11147677 0.88 THRB (0.32) THRBLMNA
SCHEMBL11144466 0.87
SCHEMBL11148000 0.78
SCHEMBL8976252 0.78
SCHEMBL178955 0.77 THRB (0.40) THRBLMNAALDH1A1HSD17B10ALOX15
SCHEMBL3791906 0.76
SCHEMBL16843395 0.75 THRB (0.44) THRBLMNAALDH1A1HSD17B10ALOX15
SCHEMBL5838162 0.74 LMNA (0.35) THRBLMNAALDH1A1HSD17B10
SCHEMBL8735590 0.73 THRB (0.42) THRBLMNAALDH1A1HSD17B10ALOX15
SCHEMBL1702793 0.73 THRB (0.42) THRBLMNAALDH1A1HSD17B10ALOX15

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
WO-2010038200-A1 OXAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-08 WO disclosed