SCHEMBL3396513

SCHEMBL3396513

CCC1=C(C(=O)OCC2CCCCC2)C(c2cccc(C(=O)O)c2)NC(=O)N1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 2/20 0.61
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GAA P10253 4/20 0.53
KIF11 P52732 1/20 0.48
ADORA2B P29275 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL3397555 0.91 PDE1C (0.58) PDE1CMEN1KMT2AGAAKIF11
SCHEMBL13425966 0.88 KIF11 (0.62) PDE1CMEN1KMT2AGAAKIF11
SCHEMBL13426215 0.88 KIF11 (0.62) PDE1CMEN1KMT2AGAAKIF11
SCHEMBL3398042 0.88 KIF11 (0.62) PDE1CMEN1KMT2AGAAKIF11
SCHEMBL3393126 0.88 PDE1C (0.66) PDE1CMEN1KMT2AGAAKIF11
SCHEMBL3393122 0.88 PDE1C (0.66) PDE1CMEN1KMT2AGAAKIF11
SCHEMBL3399280 0.88 MEN1 (0.61) PDE1CMEN1KMT2AGAAADORA2B
SCHEMBL13425521 0.87 PDE1C (0.59) PDE1CMEN1KMT2AGAAKIF11
SCHEMBL3392331 0.87 PDE1C (0.59) PDE1CMEN1KMT2AGAAKIF11
SCHEMBL13426120 0.87 PDE1C (0.59) PDE1CMEN1KMT2AGAAKIF11

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