SCHEMBL13295960

SCHEMBL13295960

COC(=O)C(CC(=O)OCC1CCC(COC(=O)CC(NC2CCCCC2)C(=O)OC)CC1)NC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
EPHX2 P34913 4/20 0.37
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
PADI1 Q9ULC6 1/20 0.34
PADI4 Q9UM07 1/20 0.34
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
EPHX1 P07099 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSK P43235 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL13295995 0.86 LMNA (0.40) LMNAL3MBTL1THRBATMSLC1A3
SCHEMBL7432662 0.85 EPHX2 (0.42) EPHX2NPSR1TP53L3MBTL1THRB
SCHEMBL7432656 0.85 EPHX2 (0.42) EPHX2NPSR1TP53L3MBTL1THRB
SCHEMBL13295976 0.84 EPHX2 (0.40) LMNAEPHX2NPSR1L3MBTL1THRB
SCHEMBL13295954 0.83 EPHX2 (0.42) EPHX2NPSR1TP53L3MBTL1EPHX1
SCHEMBL38033 0.81 SMN1; SMN2 (0.39) EPHX2NPSR1TP53L3MBTL1THRB
SCHEMBL27579413 0.79 NPSR1 (0.40) EPHX2NPSR1TP53L3MBTL1THRB
SCHEMBL38034 0.78 EPHX1 (0.40) EPHX2NPSR1TP53THRBEPHX1
SCHEMBL38032 0.78 EPHX1 (0.40) EPHX2NPSR1TP53THRBEPHX1
SCHEMBL13295961 0.78 SMN1; SMN2 (0.36) LMNASLC1A3SLC1A2SLC1A1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732018-B2 Durable coating compositions containing novel aspartic amine compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-08 US disclosed
US-7732018-B2 Durable coating compositions containing novel aspartic amine compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-08 US disclosed
EP-1833783-B1 DURABLE COATING COMPOSITIONS CONTAINING NOVEL ASPARTIC AMINE COMPOUNDS DU PONT (US) 2009-04-15 EP disclosed
US-7449242-B2 Durable coating compositions containing novel aspartic amine compounds E.I. DU PONT DE NEMOURS & COMPANY (US) 2008-11-11 US disclosed
US-7449242-B2 Durable coating compositions containing novel aspartic amine compounds E.I. DU PONT DE NEMOURS & COMPANY (US) 2008-11-11 US disclosed
US-7166748-B2 Durable coating compositions containing novel aspartic amine compounds E.I. DUPONT DE NEMOURS & CO. (US) 2007-01-23 US disclosed
US-7166748-B2 Durable coating compositions containing novel aspartic amine compounds E.I. DUPONT DE NEMOURS & CO. (US) 2007-01-23 US disclosed