SCHEMBL10048288

SCHEMBL10048288

COC1O[C@@H](Oc2ccc3cc2Oc2ccc(cc2)CCC(=O)CC(O)CC3)[C@@H](O)C[C@H]1O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.38
NR1H3 Q13133 5/20 0.38
NFKB1 P19838 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
UBE2N P61088 1/20 0.32
GAA P10253 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
SCHEMBL13895090 1.00 NR1H2 (0.38) NR1H2NR1H3NFKB1NFKB2RELA
SCHEMBL13698102 0.90 NR1H2 (0.39) NR1H2NR1H3NFKB1NFKB2RELA
SCHEMBL13895010 0.86 NFKB1 (0.54) NR1H2NR1H3NFKB1NFKB2RELA
SCHEMBL13895145 0.86 NFKB1 (0.54) NR1H2NR1H3NFKB1NFKB2RELA
SCHEMBL15996705 0.80 NFKB1 (0.40) NFKB1NFKB2RELAGAA
SCHEMBL13698111 0.75 NFKB1 (0.55) NR1H2NR1H3NFKB1NFKB2RELA
SCHEMBL13698112 0.75 NFKB1 (0.55) NR1H2NR1H3NFKB1NFKB2RELA
SCHEMBL10048264 0.75 NFKB1 (0.55) NR1H2NR1H3NFKB1NFKB2RELA
SCHEMBL10048501 0.74 NR1H2 (0.49) NR1H2NR1H3NFKB1NFKB2RELA
SCHEMBL13895077 0.72 NFKB1 (0.52) NR1H2NR1H3NFKB1NFKB2RELA

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
EP-2407160-A1 Pharmaceutical composition for prevention and/or treatment of bone disease, functional food or health food comprising the composition, and pharmaceutical preparation comprising the composition as active ingredient Akihisa, Toshihiro (JP) 2012-01-18 EP disclosed