SCHEMBL3399108

SCHEMBL3399108

CC1=C(C(=O)OCC2CCCCC2)C(c2cccc(OC(=O)c3ccccc3)c2)NC(=O)N1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 2/20 0.81
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
GAA P10253 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
ADORA2B P29275 4/20 0.55
TDP1 Q9NUW8 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
KIF11 P52732 1/20 0.53
PKM P14618 1/20 0.53
ALDH1A1 P00352 1/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL3393122 0.90 PDE1C (0.66) PDE1CMEN1KMT2AGAAL3MBTL1
SCHEMBL3393126 0.90 PDE1C (0.66) PDE1CMEN1KMT2AGAAL3MBTL1
SCHEMBL3393104 0.90 PDE1C (0.79) PDE1CMEN1KMT2AGAAL3MBTL1
SCHEMBL3395577 0.88 PDE1C (0.82) PDE1CMEN1KMT2AGAAL3MBTL1
SCHEMBL13425516 0.87 PDE1C (0.75) PDE1CMEN1KMT2AGAAL3MBTL1
SCHEMBL3391307 0.86 MEN1 (0.79) PDE1CMEN1KMT2AGAAADORA2B
SCHEMBL3397010 0.83 KIF11 (0.76) PDE1CMEN1KMT2AGAAL3MBTL1
SCHEMBL13425517 0.83 PDE1C (0.59) PDE1CMEN1KMT2AGAAL3MBTL1
SCHEMBL3399381 0.83 PDE1C (0.59) PDE1CMEN1KMT2AGAAL3MBTL1
SCHEMBL13425510 0.82 PDE1C (0.74) PDE1CMEN1KMT2AGAAL3MBTL1

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