SCHEMBL10423458

SCHEMBL10423458

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

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 9/20 0.64
NFKB2 Q00653 9/20 0.64
RELA Q04206 9/20 0.64
GAA P10253 1/20 0.50
EPHX2 P34913 1/20 0.39
BTK Q06187 1/20 0.38
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
CTSK P43235 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
SCHEMBL14586681 0.78 NFKB1 (1.00) NFKB1NFKB2RELAGAABTK
SCHEMBL14586683 0.78 NFKB1 (1.00) NFKB1NFKB2RELAGAABTK
SCHEMBL5600252 0.78 NFKB1 (1.00) NFKB1NFKB2RELAGAABTK
SCHEMBL25567964 0.75 NFKB1 (0.75) NFKB1NFKB2RELAGAABTK
SCHEMBL6917362 0.75 NFKB1 (0.75) NFKB1NFKB2RELAGAABTK
SCHEMBL22227389 0.75 NFKB1 (0.75) NFKB1NFKB2RELAGAABTK
SCHEMBL9622035 0.73 NFKB1 (0.49) NFKB1NFKB2RELAGAAEPHX2
SCHEMBL9621924 0.72 NFKB1 (0.48) NFKB1NFKB2RELAGAAEPHX2
SCHEMBL9622577 0.72 NFKB1 (0.48) NFKB1NFKB2RELAGAAEPHX2
SCHEMBL15502088 0.71 GAA (0.54) NFKB1NFKB2RELAGAAEPHX2

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-4959493-A CENTRAL NERVOUS SYSTEM DISORDERS SUNTORY LIMITED (JP) 1990-09-25 US disclosed