SCHEMBL14760440

SCHEMBL14760440

CCOC(=O)N1C(=O)C2=C(SCCS2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PABPC1 P11940 1/20 0.41
BCHE P06276 1/20 0.40
HSD17B10 Q99714 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
GAA P10253 1/20 0.34
APP P05067 1/20 0.34
SNCA P37840 1/20 0.34

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
SCHEMBL5569635 0.76 BCHE (0.43) ALDH1A1KMT2ABCHEHSD17B10LMNA
SCHEMBL28985430 0.72 BCHE (0.41) ALDH1A1KMT2ABCHEHSD17B10LMNA
SCHEMBL16356254 0.72 BCHE (0.41) ALDH1A1KMT2ABCHEHSD17B10MEN1
SCHEMBL5570690 0.72 KMT2A (0.39) ALDH1A1KMT2AL3MBTL1BCHEMEN1
SCHEMBL74973 0.72 L3MBTL1 (0.55) ALDH1A1KMT2AL3MBTL1BCHEHSD17B10
SCHEMBL31241181 0.72 L3MBTL1 (0.55) ALDH1A1KMT2AL3MBTL1BCHEHSD17B10
SCHEMBL5573133 0.70 ALDH1A1 (0.44) ALDH1A1KMT2ABCHEHSD17B10MEN1
SCHEMBL4427684 0.68 HSD17B10 (0.55) ALDH1A1KMT2AL3MBTL1BCHEHSD17B10
Ethylene Glycol SCHEMBL8989789 0.68 L3MBTL1 (0.51) ALDH1A1KMT2AL3MBTL1BCHEHSD17B10
SCHEMBL11424950 0.67 BCHE (0.40) ALDH1A1KMT2ABCHEMEN1LMNA

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
EP-1806400-B1 Inactivation method FERMENTAS UAB (LT) 2013-03-13 EP disclosed