SCHEMBL20766890

SCHEMBL20766890

CC(C)(C)OC(=O)C1[CH]CCN1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL29054770 0.82 MAPK1 (0.39) MAPK1NFKB1NFKB2RELA
SCHEMBL28442300 0.74 MAPK1 (0.33) MAPK1
SCHEMBL27670508 0.71 MAPK1 (0.37) MAPK1NFKB1NFKB2RELA
SCHEMBL20767247 0.71 MAPK1 (0.34) MAPK1NFKB1NFKB2RELA
SCHEMBL2224338 0.71
SCHEMBL746387 0.70 EGLN1 (0.52) MAPK1NFKB1NFKB2RELA
SCHEMBL7381744 0.70 MAPK1 (0.33) MAPK1
SCHEMBL5748166 0.70 MAPK1 (0.33) MAPK1NFKB1NFKB2RELA
SCHEMBL5728913 0.70 MAPK1 (0.37) MAPK1NFKB1NFKB2RELAUSP2
SCHEMBL7849903 0.69 MAPK1 (0.33) MAPK1

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-2019040105-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed