SCHEMBL7454074

SCHEMBL7454074

CCOC(=O)C(C#N)C(CC)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 3/20 0.41
MEN1 O00255 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 7/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.34
ALOX15 P16050 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
CYP2C9 P11712 1/20 0.33
SOAT1 P35610 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL10535054 0.85 SMN1; SMN2 (0.45) KMT2ASMN1; SMN2GAAMEN1L3MBTL1
SCHEMBL9718386 0.82 ALDH1A1 (0.38) KMT2ASMN1; SMN2GAAMEN1L3MBTL1
SCHEMBL31083837 0.82 ALDH1A1 (0.38) KMT2ASMN1; SMN2GAAMEN1L3MBTL1
SCHEMBL6508549 0.82 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2GAAMEN1L3MBTL1
SCHEMBL29014424 0.80 SMN1; SMN2 (0.39) KMT2ASMN1; SMN2GAAMEN1L3MBTL1
SCHEMBL23130401 0.80 SMN1; SMN2 (0.40) KMT2ASMN1; SMN2GAAMEN1L3MBTL1
SCHEMBL7551835 0.80 CA1 (0.37) KMT2ASMN1; SMN2GAAMEN1ALDH1A1
SCHEMBL411806 0.79 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2GAAMEN1L3MBTL1
SCHEMBL235849 0.78 ALDH1A1 (0.50) KMT2AGAAMEN1L3MBTL1ALDH1A1
SCHEMBL13858310 0.78 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2GAAMEN1L3MBTL1

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-1140821-A1 LACTAMS ISIS INNOVATION LIMITED (GB) 2001-10-10 EP disclosed
WO-2000035871-A1 LACTAMS ISIS INNOVATION LIMITED (GB) 2000-06-22 WO disclosed