SCHEMBL3395556

SCHEMBL3395556

CCC1=C(C(=O)OCC2CCCO2)C(c2cccc(O)c2)NC(=O)N1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.80
NPSR1 Q6W5P4 1/20 0.80
L3MBTL1 Q9Y468 2/20 0.64
GAA P10253 5/20 0.62
MAPK1 P28482 2/20 0.62
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
KIF11 P52732 1/20 0.56
LMNA P02545 1/20 0.54
POLB P06746 2/20 0.49
ALDH1A1 P00352 5/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 3/20 0.46
ADORA2B P29275 1/20 0.46
GLA P06280 1/20 0.45
RCE1 Q9Y256 1/20 0.45
PDE1C Q14123 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL3395549 1.00 SMN1; SMN2 (0.80) SMN1; SMN2NPSR1L3MBTL1GAAMAPK1
SCHEMBL13425955 1.00 SMN1; SMN2 (0.80) SMN1; SMN2NPSR1L3MBTL1GAAMAPK1
SCHEMBL3394451 0.85 KIF11 (0.64) SMN1; SMN2NPSR1L3MBTL1GAAMAPK1
SCHEMBL3394214 0.85 KIF11 (0.58) SMN1; SMN2NPSR1L3MBTL1GAAMAPK1
SCHEMBL3394218 0.85 KIF11 (0.58) SMN1; SMN2NPSR1L3MBTL1GAAMAPK1
SCHEMBL13426215 0.85 KIF11 (0.62) SMN1; SMN2NPSR1L3MBTL1GAAMAPK1
SCHEMBL3398042 0.85 KIF11 (0.62) SMN1; SMN2NPSR1L3MBTL1GAAMAPK1
SCHEMBL13425966 0.85 KIF11 (0.62) SMN1; SMN2NPSR1L3MBTL1GAAMAPK1
SCHEMBL3391291 0.79 KIF11 (0.63) GAAKIF11ALDH1A1KDM4EADORA2B
SCHEMBL13426240 0.79 ALDH1A1 (0.74) SMN1; SMN2NPSR1L3MBTL1GAAMAPK1

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-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed