SCHEMBL3395894

SCHEMBL3395894

CCC1=C(C(=O)OCC2CCCCC2)[C@H](c2cccc(OC(=O)c3cccnc3)c2)NC(=O)N1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE1C Q14123 2/20 0.57
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
GAA P10253 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
KIF11 P52732 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ADORA2B P29275 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL3395889 1.00 PDE1C (0.57) PDE1CKMT2AMEN1GAAL3MBTL1
SCHEMBL3399381 0.92 PDE1C (0.59) PDE1CKMT2AMEN1GAAL3MBTL1
SCHEMBL13425517 0.92 PDE1C (0.59) PDE1CKMT2AMEN1GAAL3MBTL1
SCHEMBL13425511 0.91 KMT2A (0.52) PDE1CKMT2AMEN1GAAALDH1A1
SCHEMBL3433683 0.91 KMT2A (0.52) PDE1CKMT2AMEN1GAAALDH1A1
SCHEMBL3393122 0.91 PDE1C (0.66) PDE1CKMT2AMEN1GAAL3MBTL1
SCHEMBL3393126 0.91 PDE1C (0.66) PDE1CKMT2AMEN1GAAL3MBTL1
SCHEMBL13426144 0.87 PDE1C (0.51) PDE1CKMT2AMEN1GAAALDH1A1
SCHEMBL3399309 0.86 PDE1C (0.64) PDE1CKMT2AMEN1GAAL3MBTL1
SCHEMBL3399306 0.86 PDE1C (0.64) PDE1CKMT2AMEN1GAAL3MBTL1

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