SCHEMBL10048264

SCHEMBL10048264

COC1O[C@@H](Oc2ccc3cc2Oc2ccc(cc2)CC[C@H](O)CCCC3)C(O)C(O)[C@H]1O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
NR1H2 P55055 4/20 0.39
NR1H3 Q13133 4/20 0.39
ACHE P22303 1/20 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
SCHEMBL13698111 1.00 NFKB1 (0.55) NFKB1NFKB2RELANR1H2NR1H3
SCHEMBL13698112 1.00 NFKB1 (0.55) NFKB1NFKB2RELANR1H2NR1H3
SCHEMBL13895145 0.89 NFKB1 (0.54) NFKB1NFKB2RELANR1H2NR1H3
SCHEMBL13895010 0.89 NFKB1 (0.54) NFKB1NFKB2RELANR1H2NR1H3
Aceroside B1 SCHEMBL13698046 0.87 NFKB1 (0.49) NFKB1NFKB2RELAACHE
Aceroside I SCHEMBL15996716 0.87 NFKB1 (0.49) NFKB1NFKB2RELAACHE
Aceroside B1 SCHEMBL4101421 0.87 NFKB1 (0.49) NFKB1NFKB2RELAACHE
Aceroside B1 SCHEMBL15996711 0.87 NFKB1 (0.49) NFKB1NFKB2RELAACHE
Aceroside I SCHEMBL13698044 0.87 NFKB1 (0.49) NFKB1NFKB2RELAACHE
Aceroside I SCHEMBL15996710 0.87 NFKB1 (0.49) NFKB1NFKB2RELAACHE

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