SCHEMBL3397339

SCHEMBL3397339

CCC1=C(C(=O)OCC2CCCCC2)C(c2ccc(Cl)c(O)c2)NC(=O)N1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.60
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
PDE1C Q14123 2/20 0.56
TP53 P04637 2/20 0.51
ADORA2B P29275 4/20 0.47
ALDH1A1 P00352 1/20 0.45
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CREBBP Q92793 1/20 0.44

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
SCHEMBL3396532 0.92 GAA (0.62) GAAMEN1KMT2APDE1CTP53
SCHEMBL3394396 0.92 MEN1 (0.58) GAAMEN1KMT2APDE1CTP53
SCHEMBL3393426 0.91 GAA (0.66) GAAMEN1KMT2APDE1CTP53
SCHEMBL3398250 0.90 MEN1 (0.55) GAAMEN1KMT2APDE1CTP53
SCHEMBL3395671 0.89 GAA (0.60) GAAMEN1KMT2APDE1CTP53
SCHEMBL13425661 0.89 GAA (0.65) GAAMEN1KMT2APDE1CTP53
SCHEMBL3394305 0.89 GAA (0.60) GAAMEN1KMT2APDE1CTP53
SCHEMBL3434652 0.88 MEN1 (0.64) GAAMEN1KMT2APDE1CTP53
SCHEMBL3394970 0.88 GAA (0.69) GAAMEN1KMT2APDE1CSMN1; SMN2
SCHEMBL3394409 0.88 MEN1 (0.55) GAAMEN1KMT2APDE1CTP53

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