SCHEMBL1663132

SCHEMBL1663132

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1CC2CC2C1=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MAPK1 P28482 1/20 0.33

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
SCHEMBL30073710 0.70 NFKB1 (0.40) NFKB1NFKB2RELAMAPK1
SCHEMBL15934978 0.68 NFKB1 (0.36) NFKB1NFKB2RELAMAPK1
SCHEMBL1662728 0.68 NFKB1 (0.45) NFKB1NFKB2RELAMAPK1
SCHEMBL21082424 0.68 GAA (0.50) NFKB1NFKB2RELA
SCHEMBL6343911 0.67 NFKB1 (0.43) NFKB1NFKB2RELAMAPK1
SCHEMBL6711098 0.67 NFKB1 (0.43) NFKB1NFKB2RELAMAPK1
SCHEMBL6343913 0.67 NFKB1 (0.43) NFKB1NFKB2RELAMAPK1
SCHEMBL17770853 0.65 CCR2 (0.44) NFKB1NFKB2RELA
SCHEMBL24969074 0.65 NFKB1 (0.41) NFKB1NFKB2RELAMAPK1
SCHEMBL15934977 0.64 NFKB1 (0.33) NFKB1NFKB2RELAMAPK1

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-2011097491-A1 BENZIMIDAZOLE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-08-11 WO disclosed
WO-2011050284-A1 PYRAZOLYLPYRIDINE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-28 WO disclosed