SCHEMBL27827659

SCHEMBL27827659

COc1c2c(cc3oc(=O)c(-c4ccc(O)cc4O)cc13)OC(C)(C)CC2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ TYR P14679 1/20 0.45
▸ NUDT1 P36639 1/20 0.43
▸ PDE4D Q08499 5/20 0.43
▸ PDE5A O76074 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ HSP90AA1 P07900 2/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ MALT1 Q9UDY8 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
Licopyranocoumarin SCHEMBL2221932 0.89 TYR (0.42) TP53CYP3A4TYRNUDT1PDE4D
Licopyranocoumarin SCHEMBL29439925 0.89 TYR (0.42) TP53CYP3A4TYRNUDT1PDE4D
Isoglycyrol SCHEMBL29354283 0.78 TP53 (0.58) TP53CYP3A4NUDT1PDE4DPDE5A
Isoglycyrol SCHEMBL5935152 0.78 TP53 (0.58) TP53CYP3A4NUDT1PDE4DPDE5A
Glycycoumarin SCHEMBL759406 0.68 PTPN1 (0.75) TP53CYP3A4TYRNUDT1PDE4D
Glycyrin SCHEMBL5327472 0.68 PTPN1 (0.75) TYRPDE4DNFKB1RELAKDM4E
Glycycoumarin SCHEMBL29390258 0.68 PTPN1 (0.75) TP53CYP3A4TYRNUDT1PDE4D
Glycyrin SCHEMBL29388094 0.68 PTPN1 (0.75) TYRPDE4DNFKB1RELAKDM4E
SCHEMBL30637608 0.67 ESR1 (0.54) TP53CYP3A4PDE4DPDE5ALMNA
SCHEMBL11444801 0.65 PDE5A (0.49) TP53CYP3A4NUDT1PDE4DPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106046015-A Specific probe substrates for CYP450 (cytochrome P450) 2A6 enzyme and application of specific probe substrates 北京大学 2016-10-26 — — CN claimed
CN-115721671-A Method for extracting and separating effective components of liquorice root in full-industrial-chain cooperation manner 李玉山 2023-03-03 — — CN disclosed
CN-106046015-B The Specific probe of a kind of Cytochrome P450 2A6 enzymes and its application 北京大学 2018-06-05 — — CN disclosed
CN-106046015-B The Specific probe of a kind of Cytochrome P450 2A6 enzymes and its application 北京大学 2018-06-05 — — CN disclosed
CN-106046015-A Specific probe substrates for CYP450 (cytochrome P450) 2A6 enzyme and application of specific probe substrates 北京大学 2016-10-26 — — CN disclosed
CN-106046015-A Specific probe substrates for CYP450 (cytochrome P450) 2A6 enzyme and application of specific probe substrates 北京大学 2016-10-26 — — CN disclosed
CN-102068537-B The preparation of Pericarpium Citri Reticulatae Radix Glycyrrhizae prevents and treats the health food of nasopharyngeal carcinoma and the production method of medicine GUANGDONG MEDICAL COLLEGE (CN) 2015-12-02 — — CN disclosed
CN-104861015-A Synergistic clean extraction method of effective components in licorice root LI YUSHAN 2015-08-26 — — CN disclosed
CN-102068537-A Production method for preparing health care foods and medicaments for preventing and treating nasopharyngeal darcinoma by using tangerine peel and liquoric root GUANGDONG MEDICAL COLLEGE 2011-05-25 — — CN disclosed
CN-101982465-A Flavonoid compound extracted from liquorice and preparation method and application thereof NINGXIA INST FOR DRUG CONTROL 2011-03-02 — — CN disclosed
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