SCHEMBL3394543

SCHEMBL3394543

CCOC(=O)C1=C(CCO)NC(=O)NC1c1cccc(O)c1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.74
POLB P06746 1/20 0.60
MAPK1 P28482 2/20 0.53
HSD17B10 Q99714 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GAA P10253 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA2B P29275 1/20 0.53
ALOX15 P16050 1/20 0.52
TP53 P04637 1/20 0.51
THRB P10828 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL3336330 0.88 KIF11 (0.60) KIF11POLBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL3435307 0.88 KIF11 (0.76) KIF11POLBMAPK1HSD17B10SMN1; SMN2
SCHEMBL5341216 0.85 KIF11 (1.00) KIF11POLBMAPK1HSD17B10SMN1; SMN2
SCHEMBL3398148 0.85 PDE1C (0.57) KIF11POLBMAPK1HSD17B10SMN1; SMN2
SCHEMBL13426160 0.82 TP53 (0.74) KIF11POLBMAPK1SMN1; SMN2ALDH1A1
SCHEMBL3399002 0.80 KIF11 (0.60) KIF11POLBMAPK1HSD17B10SMN1; SMN2
SCHEMBL3391291 0.80 KIF11 (0.63) KIF11ALDH1A1GAAADORA2BPKM
SCHEMBL13426241 0.79 KIF11 (0.60) KIF11POLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL13426223 0.79 KIF11 (0.60) KIF11POLBSMN1; SMN2ALDH1A1MEN1
SCHEMBL3341613 0.79 KIF11 (0.62) KIF11POLBSMN1; SMN2ALDH1A1KMT2A

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