SCHEMBL7196623

SCHEMBL7196623

CCOC(=O)C(CCCNC(=O)OC(C)(C)C)NC(=O)n1cc(C)c(=O)[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.42
MAPT P10636 4/20 0.42
NPSR1 Q6W5P4 4/20 0.42
KDM4E B2RXH2 2/20 0.42
ATM Q13315 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK3 P27361 1/20 0.38
ASAH1 Q13510 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SQOR Q9Y6N5 1/20 0.38

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
SCHEMBL7197137 0.90 MEN1 (0.46) TDP1MAPTNPSR1KDM4EATM
SCHEMBL7963556 0.74 CAMK2D (0.46) TDP1MAPTMEN1KMT2AGAA
SCHEMBL7535820 0.72 MAOA (0.39) TDP1NPSR1
SCHEMBL11244003 0.71 LMNA (0.65) LMNACYP3A4CYP2D6MAPK3ASAH1
SCHEMBL9775104 0.70 ASAH1 (0.71) LMNACYP3A4CYP2D6MAPK3ASAH1
SCHEMBL11247507 0.70 ASAH1 (0.71) LMNACYP3A4CYP2D6MAPK3ASAH1
SCHEMBL4474428 0.68 MEN1 (0.62) TDP1NPSR1ATMMEN1KMT2A
SCHEMBL7540436 0.68 TK1 (0.37)
SCHEMBL18942686 0.67 KLK7 (0.65) MAPT
SCHEMBL18490884 0.67 KLK7 (0.58) TDP1MAPTNPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1310507-A2 Novel peptide nucleic acids NIELSEN, Peter Eigil (DK) 2003-05-14 EP disclosed
US-5773571-A BOND TO RNA AND DNA STRANDS NIELSEN PETER E (DK) 1998-06-30 US disclosed
US-5539082-A Peptide nucleic acids NIELSEN PETER E (DK) 1996-07-23 US disclosed
EP-0699208-A1 NOVEL PEPTIDE NUCLEIC ACIDS NIELSEN, Peter Eigil (DK) 1996-03-06 EP disclosed
WO-1994025477-A2 NOVEL PEPTIDE NUCLEIC ACIDS NIELSEN PETER E (DK) 1994-11-10 WO disclosed