SCHEMBL30001632

SCHEMBL30001632

COC(=O)C1=COC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C2C(CO)=CC(OC(=O)/C=C/c3ccc(O)cc3)C12

nearest known ligand 0.89

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.89
▸ HSP90AA1 P07900 2/20 0.48
▸ POLB P06746 1/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47
▸ STAT3 P40763 8/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PTPN1 P18031 2/20 0.43
▸ IL2 P60568 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42

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
Arbortristoside C SCHEMBL422794 0.82 ELANE (0.62) ELANEHSP90AA1STAT3MEN1MAPT
SCHEMBL420506 0.82 ELANE (0.62) ELANEHSP90AA1STAT3MEN1MAPT
SCHEMBL30561993 0.82 HSP90AA1 (0.62) ELANEHSP90AA1POLBMAPTSMN1; SMN2
SCHEMBL29896779 0.80 ELANE (0.65) ELANEPOLBCTDSP1STAT3MEN1
SCHEMBL20572206 0.80 ELANE (0.65) ELANEPOLBCTDSP1STAT3MEN1
SCHEMBL29425927 0.80 ELANE (0.65) ELANEPOLBCTDSP1STAT3MEN1
SCHEMBL29425898 0.80 ELANE (0.65) ELANEPOLBCTDSP1STAT3MEN1
Luzonoside D SCHEMBL422895 0.76 STAT3 (0.55) ELANESTAT3MEN1MAPTKMT2A
Luzonoside C SCHEMBL421025 0.76 STAT3 (0.55) ELANESTAT3MEN1MAPTKMT2A
SCHEMBL31179906 0.76 ELANE (0.60) ELANEPOLBCTDSP1STAT3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114886907-A (E) Application of-6-O-p-coumaroyl paederosidic methyl ester in preparation of medicine for preventing/treating liver injury 山东中医药大学附属医院 2022-08-12 — — CN claimed
CN-114886907-A (E) Application of-6-O-p-coumaroyl paederosidic methyl ester in preparation of medicine for preventing/treating liver injury 山东中医药大学附属医院 2022-08-12 — — CN disclosed
CN-114886907-A (E) Application of-6-O-p-coumaroyl paederosidic methyl ester in preparation of medicine for preventing/treating liver injury 山东中医药大学附属医院 2022-08-12 — — CN disclosed
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