SCHEMBL29536623

SCHEMBL29536623

COc1cc(/C=C/C(=O)O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)O[C@H](CO)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.61
▸ PRKCA P17252 4/20 0.57
▸ SNCA P37840 1/20 0.53
▸ CA12 O43570 4/20 0.49
▸ CA9 Q16790 4/20 0.49
▸ CA1 P00915 3/20 0.49
▸ CA2 P00918 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ KDM1A O60341 1/20 0.48
▸ BACE1 P56817 1/20 0.48
▸ EPHX2 P34913 1/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.46

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
SCHEMBL29536291 1.00 PTPN1 (0.61) PTPN1PRKCASNCACA12CA9
SCHEMBL17938787 0.88 PTPN1 (0.58) PTPN1PRKCASNCACA12CA9
SCHEMBL15438013 0.86 SNCA (0.64) PTPN1PRKCASNCACA12CA9
SCHEMBL15711514 0.85 SNCA (0.66) PTPN1PRKCASNCACA12CA9
SCHEMBL546975 0.85 SNCA (0.66) PTPN1PRKCASNCACA12CA9
SCHEMBL20944781 0.85 SNCA (0.66) PTPN1PRKCASNCACA12CA9
SCHEMBL30039394 0.83 PTPN1 (0.57) PTPN1PRKCASNCACA12CA9
SCHEMBL30039672 0.82 PRKCA (0.57) PTPN1PRKCASNCACA12CA9
SCHEMBL2928116 0.81 LDHA (0.58) PTPN1PRKCASNCACA12CA9
SCHEMBL30429113 0.81 LDHA (0.58) PTPN1PRKCASNCACA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114456142-A Method for extracting anti-tumor component from oldenlandia diffusa 江苏医药职业学院 2022-05-10 — — CN claimed
CN-111670037-B Oldenlandia diffusa anti-tumor effective component and preparation method and application thereof 广东新纪元生命科技有限公司 2022-04-26 — — CN claimed
CN-114456142-A Method for extracting anti-tumor component from oldenlandia diffusa 江苏医药职业学院 2022-05-10 — — CN disclosed
CN-111670037-B Oldenlandia diffusa anti-tumor effective component and preparation method and application thereof 广东新纪元生命科技有限公司 2022-04-26 — — CN disclosed
CN-111670037-B Oldenlandia diffusa anti-tumor effective component and preparation method and application thereof 广东新纪元生命科技有限公司 2022-04-26 — — CN disclosed
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