SCHEMBL2679319

SCHEMBL2679319

CC(C)CC=C1OCC2=CC=CC(=O)C21

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL11967669 0.58 PRKCA (0.30)
SCHEMBL2992690 0.58 PRKCA (0.30)
SCHEMBL6330248 0.52 MAPT (0.53) NFKB1NFKB2RELA
SCHEMBL4288449 0.50 POLB (0.33) NFKB1NFKB2RELA
SCHEMBL9843500 0.49 NFKB1 (0.34) NFKB1NFKB2RELA
SCHEMBL356851 0.48
SCHEMBL893130 0.48
SCHEMBL926102 0.48
SCHEMBL809499 0.48 MAPT (0.38)
SCHEMBL8857064 0.48 CYP19A1 (0.30)

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
JP-2012006923-A USE OF PHTHALIDE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF DIABETES MELLITUS DSM IP ASSETS BV 2012-01-12 JP disclosed