SCHEMBL3394569

SCHEMBL3394569

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 2/20 0.58
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
GAA P10253 4/20 0.52
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KIF11 P52732 1/20 0.47
ADORA2B P29275 7/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL13425589 0.92 PDE1C (0.57) PDE1CMEN1KMT2AGAAALDH1A1
SCHEMBL3393362 0.90 PDE1C (0.55) PDE1CMEN1KMT2AGAAALDH1A1
SCHEMBL3398047 0.88 MEN1 (0.60) PDE1CMEN1KMT2AGAASMN1; SMN2
SCHEMBL3398042 0.87 KIF11 (0.62) PDE1CMEN1KMT2AGAAALDH1A1
SCHEMBL13426215 0.87 KIF11 (0.62) PDE1CMEN1KMT2AGAAALDH1A1
SCHEMBL13425966 0.87 KIF11 (0.62) PDE1CMEN1KMT2AGAAALDH1A1
SCHEMBL3397555 0.87 PDE1C (0.58) PDE1CMEN1KMT2AGAAALDH1A1
SCHEMBL13425521 0.87 PDE1C (0.59) PDE1CMEN1KMT2AGAAALDH1A1
SCHEMBL3435151 0.87 MEN1 (0.61) PDE1CMEN1KMT2AGAAALDH1A1
SCHEMBL13426120 0.87 PDE1C (0.59) PDE1CMEN1KMT2AGAAALDH1A1

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