SCHEMBL14070833

SCHEMBL14070833

Cc1ccc2c(c1C)OC(CC1CCC(CC3CCC(CC4CCCCC4)CC3)CC1)CC2

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 6/20 0.33
NFKB2 Q00653 6/20 0.33
RELA Q04206 6/20 0.33

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
SCHEMBL8932336 0.75
SCHEMBL14070839 0.71 CA1 (0.36) NFKB1NFKB2RELA
SCHEMBL20138526 0.69 CA2 (0.50)
SCHEMBL10595179 0.68 L3MBTL1 (0.36) NFKB1NFKB2RELA
SCHEMBL10593429 0.66 L3MBTL1 (0.37) NFKB1NFKB2RELA
SCHEMBL10366763 0.66 CCR1 (0.38)
SCHEMBL10594089 0.65 PTGDR2 (0.46)
SCHEMBL14070942 0.64 FFAR4 (0.33) NFKB1NFKB2RELA
SCHEMBL5792653 0.63 PRKAB2 (0.45)
SCHEMBL14070944 0.62 OPRL1 (0.34) NFKB1NFKB2RELA

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-7429411-B2 Chroman compound, liquid crystal composition including the compound and liquid crystal display element including the liquid crystal composition CHISSO PETROCHEMICAL CORPORATION (JP) 2008-09-30 US disclosed