SCHEMBL6054142

SCHEMBL6054142

CCON(C(=O)C(C)NC(=O)C(=O)Nc1ccccc1Cc1ccccc1)C1COC(=O)C1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.42
CASP6 P55212 3/20 0.42
CASP8 Q14790 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAOB P27338 2/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
PKM P14618 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAOA P21397 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL5492525 0.81 CASP3 (0.41) CASP3CASP6CASP8L3MBTL1POLB
SCHEMBL5492413 0.76 CASP3 (0.35) CASP3CASP6CASP8
SCHEMBL6054137 0.72 CASP3 (0.46) CASP3CASP6CASP8L3MBTL1CASP1
SCHEMBL7111386 0.69 ALDH1A1 (0.38) CASP3CASP6CASP8ALDH1A1CASP1
SCHEMBL14521758 0.62 L3MBTL1 (1.00) L3MBTL1POLBMEN1KMT2AALDH1A1
SCHEMBL9544162 0.61 L3MBTL1 (0.66) L3MBTL1POLBMEN1KMT2AALDH1A1
SCHEMBL5006073 0.61 L3MBTL1 (0.61) L3MBTL1POLBMEN1KMT2AALDH1A1
SCHEMBL5495941 0.60 CASP3 (0.34) CASP3CASP6CASP8ALDH1A1
SCHEMBL5804308 0.59 L3MBTL1 (0.67) L3MBTL1KMT2AALDH1A1MAOBLMNA
SCHEMBL2095643 0.59 L3MBTL1 (0.67) L3MBTL1POLBALDH1A1MAOBLMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053056-B2 C-terminal modified oxamyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2006-05-30 US claimed