SCHEMBL28984268

SCHEMBL28984268

COc1cc2c(c(OC)c1OC)C(O)C(=O)C(c1ccccc1)O2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.48
▸ XDH P47989 2/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ NR3C1 P04150 4/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HPGD P15428 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ ABCG2 Q9UNQ0 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL27819314 0.86 KDM4E (0.49) KDM4EXDHALDH1A1NR3C1NPSR1
SCHEMBL28984267 0.85 KDM4E (0.48) KDM4EXDHALDH1A1NR3C1NPSR1
SCHEMBL18940919 0.81 NPC1 (0.52) XDHNR3C1SIRT1ABCG2RAB9A
SCHEMBL4439742 0.78 ABCG2 (0.51) KDM4EALDH1A1NPSR1MEN1MAPT
SCHEMBL31091388 0.78 ABCG2 (0.51) KDM4EALDH1A1NPSR1MEN1MAPT
SCHEMBL28002582 0.75 NPC1 (0.42) KDM4EXDHALDH1A1MEN1GAA
SCHEMBL10425234 0.73 KDM4E (0.46) KDM4EXDHALDH1A1NR3C1NPSR1
SCHEMBL29406099 0.72 ALDH1A1 (0.50) KDM4EXDHALDH1A1MEN1GAA
SCHEMBL1068877 0.72 ALDH1A1 (0.50) KDM4EXDHALDH1A1MEN1GAA
SCHEMBL27655154 0.71 ALDH1A1 (0.50) KDM4EALDH1A1NR3C1NPSR1MEN1

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
CN-115770270-A Daoluotong and its use method 朱亚琼 2023-03-10 — — CN disclosed
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