SCHEMBL8700402

SCHEMBL8700402

CC(C)(C)OC(=O)N[C@H]1OC1=O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
NFKB1 P19838 7/20 0.49
NFKB2 Q00653 7/20 0.49
RELA Q04206 7/20 0.49
BTK Q06187 1/20 0.40
EPHX2 P34913 1/20 0.38
CTSK P43235 2/20 0.37
KDM1A O60341 1/20 0.37
PSMB8 P28062 1/20 0.36

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
SCHEMBL14153070 1.00 GAA (0.50) GAANFKB1NFKB2RELABTK
SCHEMBL22618513 0.78 NAAA (0.52)
SCHEMBL22618498 0.78 NAAA (0.52)
SCHEMBL20279960 0.78 NAAA (0.52)
SCHEMBL4949895 0.77 GAA (0.55) GAANFKB1NFKB2RELABTK
SCHEMBL518197 0.74 GAA (0.60) GAANFKB1NFKB2RELABTK
SCHEMBL555941 0.74 GAA (0.60) GAANFKB1NFKB2RELABTK
SCHEMBL9392474 0.74 GAA (0.60) GAANFKB1NFKB2RELABTK
SCHEMBL15341563 0.74 NAAA (0.51) GAANFKB1NFKB2RELA
SCHEMBL8294391 0.74 GAA (0.52) GAANFKB1NFKB2RELABTK

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
US-5750506-A TREATING INFLAMMATION, HEAD TRAUMA, PAIN, ASTHMA CORTECH, INC. (US) 1998-05-12 US disclosed