SCHEMBL3398322

SCHEMBL3398322

CCC1=C(C(=O)OCC2CCCCC2)C(c2cc(Cl)c(N)c(Cl)c2)NC(=O)N1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.59
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
PDE1C Q14123 2/20 0.51
ADORA2B P29275 7/20 0.46
TP53 P04637 2/20 0.46
NPC1 O15118 1/20 0.43

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
SCHEMBL3395154 0.91 GAA (0.68) GAAMEN1KMT2APDE1CADORA2B
SCHEMBL3394409 0.89 MEN1 (0.55) GAAMEN1KMT2APDE1CADORA2B
SCHEMBL13425661 0.88 GAA (0.65) GAAMEN1KMT2APDE1CADORA2B
SCHEMBL3394396 0.88 MEN1 (0.58) GAAMEN1KMT2APDE1CADORA2B
SCHEMBL3395293 0.87 GAA (0.57) GAAMEN1KMT2APDE1CADORA2B
SCHEMBL3398250 0.87 MEN1 (0.55) GAAMEN1KMT2APDE1CADORA2B
SCHEMBL13425377 0.87 GAA (0.68) GAAMEN1KMT2APDE1CADORA2B
SCHEMBL3396532 0.86 GAA (0.62) GAAMEN1KMT2APDE1CADORA2B
SCHEMBL3434652 0.85 MEN1 (0.64) GAAMEN1KMT2APDE1CADORA2B
SCHEMBL13425652 0.85 GAA (0.50) GAAMEN1KMT2APDE1CADORA2B

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