SCHEMBL6065638

SCHEMBL6065638

CC(C)C1=CC(=O)C(C)C=C1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL16418366 0.68
SCHEMBL19122571 0.68
SCHEMBL9999342 0.67
SCHEMBL18198952 0.66
SCHEMBL24077392 0.62
SCHEMBL12792912 0.62 EEF2K (0.34) NFKB1NFKB2RELA
SCHEMBL19122442 0.59
SCHEMBL5565075 0.59
SCHEMBL13343462 0.58 CA1 (0.31)
SCHEMBL19122159 0.58

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641432-A1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2006-04-05 EP disclosed
WO-2004105713-A1 COMPOUNDS FOR A CONTROLLED RELEASE OF ACTIVE MOLECULES FIRMENICH SA (CH) 2004-12-09 WO disclosed