SCHEMBL3399002

SCHEMBL3399002

CCCC1=C(C(=O)OCC2CCCCC2)C(c2cccc(O)c2)NC(=O)N1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.60
PDE1C Q14123 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MAPK1 P28482 2/20 0.56
HSD17B10 Q99714 2/20 0.56
ALDH1A1 P00352 2/20 0.56
ALOX15 P16050 1/20 0.56
GAA P10253 4/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ADORA2B P29275 6/20 0.48
ADORA2A P29274 1/20 0.48
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47

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
SCHEMBL13426215 0.92 KIF11 (0.62) KIF11PDE1CSMN1; SMN2NPSR1MAPK1
SCHEMBL3398042 0.92 KIF11 (0.62) KIF11PDE1CSMN1; SMN2NPSR1MAPK1
SCHEMBL13425966 0.92 KIF11 (0.62) KIF11PDE1CSMN1; SMN2NPSR1MAPK1
SCHEMBL3398148 0.91 PDE1C (0.57) KIF11PDE1CSMN1; SMN2NPSR1MAPK1
SCHEMBL3394451 0.91 KIF11 (0.64) KIF11PDE1CSMN1; SMN2NPSR1MAPK1
SCHEMBL3432561 0.88 PDE1C (0.58) KIF11PDE1CSMN1; SMN2NPSR1MAPK1
SCHEMBL3397010 0.87 KIF11 (0.76) KIF11PDE1CSMN1; SMN2NPSR1MAPK1
SCHEMBL3398630 0.86 PDE1C (0.52) KIF11PDE1CSMN1; SMN2NPSR1MAPK1
SCHEMBL3394067 0.83 PDE1C (0.59) KIF11PDE1CSMN1; SMN2NPSR1MAPK1
SCHEMBL3398285 0.83 PDE1C (0.59) KIF11PDE1CSMN1; SMN2NPSR1MAPK1

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