SCHEMBL14923315

SCHEMBL14923315

COc1cc(O)c2c(c1)C(=O)C1=C(C2=O)[C@@H](O)[C@H](OC(C)(C)O)[C@@](C)(O)[C@@H]1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 2/20 0.72
▸ NFKB2 Q00653 2/20 0.72
▸ RELA Q04206 2/20 0.72
▸ ELANE P08246 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ IDO1 P14902 1/20 0.44
▸ MYLK Q15746 1/20 0.35
▸ AKR1B1 P15121 3/20 0.34
▸ EPHX2 P34913 2/20 0.33
▸ POLK Q9UBT6 1/20 0.33
▸ ACLY P53396 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32

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
Altersolanol A SCHEMBL14923292 0.84 NFKB1 (1.00) NFKB1NFKB2RELAELANEALDH1A1
Altersolanol A SCHEMBL29845341 0.84 NFKB1 (1.00) NFKB1NFKB2RELAELANEALDH1A1
Altersolanol A SCHEMBL8734898 0.84 NFKB1 (1.00) NFKB1NFKB2RELAELANEALDH1A1
Altersolanol A SCHEMBL29688970 0.84 NFKB1 (1.00) NFKB1NFKB2RELAELANEALDH1A1
Altersolanol A SCHEMBL2793105 0.84 NFKB1 (1.00) NFKB1NFKB2RELAELANEALDH1A1
SCHEMBL6114092 0.84 NFKB1 (0.74) NFKB1NFKB2RELAELANEALDH1A1
SCHEMBL3785760 0.84 NFKB1 (0.74) NFKB1NFKB2RELAELANEALDH1A1
SCHEMBL8735134 0.82 NFKB1 (0.82) NFKB1NFKB2RELAELANEALDH1A1
SCHEMBL8736848 0.82 NFKB1 (0.82) NFKB1NFKB2RELAELANEALDH1A1
SCHEMBL29360149 0.80 NFKB1 (0.82) NFKB1NFKB2RELAELANEALDH1A1

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-2435394-B1 NOVEL ANTHRAQUINONE DERIVATIVES SEALIFE PHARMA GMBH (AT) 2013-05-08 — — EP disclosed
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