SCHEMBL431869

SCHEMBL431869

CC(C)(C)OC(=O)NC1CCc2cc[c]cc2C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.46
MTNR1A P48039 5/20 0.45
MTNR1B P49286 5/20 0.45
DRD2 P14416 3/20 0.44
CTSK P43235 2/20 0.43
BTK Q06187 1/20 0.43
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
KCNA3 P22001 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ACHE P22303 2/20 0.39

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
SCHEMBL3682479 0.82 MTNR1A (0.66) EPHX2MTNR1AMTNR1BDRD2BTK
SCHEMBL29565539 0.82 MTNR1A (0.66) EPHX2MTNR1AMTNR1BDRD2BTK
SCHEMBL5070808 0.80 EPHX2 (0.38) EPHX2DRD2CTSKBTKKDM1A
SCHEMBL20262067 0.80 GAA (0.39) EPHX2DRD2CTSKBTKKDM1A
SCHEMBL9689056 0.79 DRD2 (0.49) DRD2KMT2A
SCHEMBL9136687 0.78 CA1 (0.64) EPHX2MTNR1AMTNR1BDRD2BTK
SCHEMBL5722246 0.78 CA1 (0.64) EPHX2MTNR1AMTNR1BDRD2BTK
SCHEMBL5677299 0.78 CA1 (0.64) EPHX2MTNR1AMTNR1BDRD2BTK
SCHEMBL9752143 0.77 MTNR1A (0.50) EPHX2MTNR1AMTNR1BDRD2CTSK
SCHEMBL9752147 0.77 MTNR1A (0.50) EPHX2MTNR1AMTNR1BDRD2CTSK

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-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed