SCHEMBL3399582

SCHEMBL3399582

CCC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccc(OC(C)=O)c(Cl)c2)NC(=O)N1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
PDE1C Q14123 2/20 0.58
GAA P10253 5/20 0.54
TP53 P04637 3/20 0.46
ALDH1A1 P00352 1/20 0.45
ADORA2B P29275 4/20 0.44
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CREBBP Q92793 1/20 0.42

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
SCHEMBL3399575 1.00 MEN1 (0.58) MEN1KMT2APDE1CGAATP53
SCHEMBL13426116 0.93 PDE1C (0.58) MEN1KMT2APDE1CGAATP53
SCHEMBL3394396 0.91 MEN1 (0.58) MEN1KMT2APDE1CGAATP53
SCHEMBL3396939 0.91 MEN1 (0.55) MEN1KMT2APDE1CGAATP53
SCHEMBL13425536 0.91 MEN1 (0.55) MEN1KMT2APDE1CGAATP53
SCHEMBL3396944 0.91 MEN1 (0.55) MEN1KMT2APDE1CGAATP53
SCHEMBL13425547 0.90 KMT2A (0.54) MEN1KMT2APDE1CGAATP53
SCHEMBL13425551 0.88 MEN1 (0.53) MEN1KMT2APDE1CGAATP53
SCHEMBL3395293 0.88 GAA (0.57) MEN1KMT2APDE1CGAATP53
SCHEMBL3396532 0.87 GAA (0.62) MEN1KMT2APDE1CGAATP53

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