SCHEMBL6424027

SCHEMBL6424027

CC(C)(C)OC(=O)N(N)C1CCC(CN)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.38
PLAT P00750 1/20 0.38
LMNA P02545 1/20 0.38
NR1H2 P55055 1/20 0.33
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
ACACB O00763 1/20 0.30
ACACA Q13085 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL4367475 0.88 CHRM2 (0.34) NFKB1NFKB2RELAHDAC1HDAC2
SCHEMBL23696268 0.84 HSD11B1 (0.40) PLGPLATLMNANR1H2NFKB1
SCHEMBL21996669 0.84 HSD11B1 (0.40) PLGPLATLMNANR1H2NFKB1
SCHEMBL22849379 0.84 HSD11B1 (0.40) PLGPLATLMNANR1H2NFKB1
SCHEMBL9964560 0.83 BTK (0.37) NFKB1NFKB2RELAHDAC1HDAC2
SCHEMBL574102 0.81 BTK (0.36) NFKB1NFKB2RELAHDAC1HDAC2
SCHEMBL871258 0.80 GAA (0.37) NFKB1NFKB2RELAHDAC1HDAC2
SCHEMBL6262075 0.79 BTK (0.39) PLGPLATLMNA
SCHEMBL30157292 0.77 PLG (0.38) PLGPLATLMNANR1H2NFKB1
SCHEMBL15021681 0.77 SLC6A4 (0.32) PLAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286673-B8 LIGANDS OF INTEGRIN RECEPTORS ABBOTT GMBH & CO KG (DE) 2005-07-20 EP disclosed
EP-1286673-B1 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2005-05-25 EP disclosed
EP-1286673-A2 LIGANDS OF INTEGRIN RECEPTORS Basf Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2001093840-A2 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2001-12-13 WO disclosed