SCHEMBL19789557

SCHEMBL19789557

COc1ccc([C@H]2Oc3cc(O)cc(O)c3C(=O)[C@@H]2O)cc1OC

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 2/20 0.70
▸ CYP3A4 P08684 4/20 0.70
▸ ALOX15 P16050 4/20 0.70
▸ MAPT P10636 3/20 0.70
▸ HSD17B10 Q99714 3/20 0.70
▸ RECQL P46063 2/20 0.70
▸ MEN1 O00255 2/20 0.70
▸ KMT2A Q03164 2/20 0.70
▸ KDM4E B2RXH2 2/20 0.70
▸ GAA P10253 2/20 0.70
▸ ALOX12 P18054 2/20 0.70
▸ HIF1A Q16665 2/20 0.70
▸ SOST Q9BQB4 2/20 0.70
▸ POLB P06746 1/20 0.70
▸ CYP1A2 P05177 1/20 0.70
▸ NFKB1 P19838 1/20 0.70
▸ MAPK1 P28482 1/20 0.70
▸ ALDH1A1 P00352 3/20 0.69
▸ CYP2C9 P11712 4/20 0.68
▸ SLCO1B3 Q9NPD5 4/20 0.68

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
Dihydroisorhamnetin SCHEMBL31237482 0.93 CYP2C9 (0.78) XDHCYP3A4ALOX15MAPTHSD17B10
Dihydroisorhamnetin SCHEMBL30915472 0.93 CYP2C9 (0.78) XDHCYP3A4ALOX15MAPTHSD17B10
Dihydroisorhamnetin SCHEMBL16887921 0.93 CYP2C9 (0.78) XDHCYP3A4ALOX15MAPTHSD17B10
Dihydroisorhamnetin SCHEMBL30255782 0.93 CYP2C9 (0.78) XDHCYP3A4ALOX15MAPTHSD17B10
Tamaraxetin SCHEMBL18235875 0.93 CYP3A4 (0.73) XDHCYP3A4ALOX15MAPTHSD17B10
Tamaraxetin SCHEMBL30256267 0.93 CYP3A4 (0.73) XDHCYP3A4ALOX15MAPTHSD17B10
Tamaraxetin SCHEMBL16887881 0.93 CYP3A4 (0.73) XDHCYP3A4ALOX15MAPTHSD17B10
SCHEMBL28024600 0.92 ALDH1A1 (0.78) XDHCYP3A4ALOX15MAPTHSD17B10
SCHEMBL21722487 0.89 CYP2C9 (0.61) XDHCYP3A4ALOX15MAPTHSD17B10
SCHEMBL4951008 0.88 XDH (0.76) XDHCYP3A4ALOX15MAPTHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2392326-B9 Silibinin component for the treatment of hepatitis MADAUS GMBH (DE) 2018-09-05 — — EP disclosed
EP-2392326-B1 Silibinin component for the treatment of hepatitis MADAUS GMBH (DE) 2018-01-24 — — EP disclosed
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