SCHEMBL1662728

SCHEMBL1662728

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1CC=CC1=O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
MAPK1 P28482 1/20 0.36
MT-CO2 P00403 1/20 0.32
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
OPRD1 P41143 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
SCHEMBL1663132 0.68 NFKB1 (0.39) NFKB1NFKB2RELAMAPK1
SCHEMBL6711098 0.67 NFKB1 (0.43) NFKB1NFKB2RELAMAPK1MT-CO2
SCHEMBL6343913 0.67 NFKB1 (0.43) NFKB1NFKB2RELAMAPK1MT-CO2
SCHEMBL6343911 0.67 NFKB1 (0.43) NFKB1NFKB2RELAMAPK1MT-CO2
SCHEMBL15934978 0.65 NFKB1 (0.36) NFKB1NFKB2RELAMAPK1
SCHEMBL17770853 0.65 CCR2 (0.44) NFKB1NFKB2RELA
SCHEMBL17991583 0.65 NFKB1 (0.49) NFKB1NFKB2RELAGAA
SCHEMBL24969074 0.65 NFKB1 (0.41) NFKB1NFKB2RELAMAPK1MT-CO2
SCHEMBL31236401 0.63 HSD11B1 (0.41) NFKB1NFKB2RELAMAPK1
SCHEMBL24062321 0.63 ASGR1 (0.37) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011050284-A1 PYRAZOLYLPYRIDINE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-28 WO disclosed