SCHEMBL29678122

SCHEMBL29678122

O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 5/20 1.00
TNKS2 Q9H2K2 5/20 1.00
PARP1 P09874 4/20 1.00
ALOX5 P09917 3/20 1.00
POLH Q9Y253 3/20 1.00
CYP3A4 P08684 7/20 0.77
HPGD P15428 7/20 0.77
ALDH1A1 P00352 5/20 0.77
SMN1; SMN2 Q16637 5/20 0.77
KDM4E B2RXH2 4/20 0.77
HSD17B10 Q99714 4/20 0.77
IP6K2 Q9UHH9 4/20 0.77
CYP19A1 P11511 3/20 0.77
MAOA P21397 3/20 0.77
MAOB P27338 3/20 0.77
MAPK1 P28482 3/20 0.77
QPCT Q16769 3/20 0.77
MPO P05164 1/20 0.77
PTPRS Q13332 1/20 0.76
MEN1 O00255 5/20 0.71

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
SCHEMBL34405 1.00 TNKS (1.00) TNKSTNKS2PARP1ALOX5POLH
SCHEMBL30591365 0.88 ALOX5 (0.78) TNKSTNKS2PARP1ALOX5POLH
SCHEMBL29664594 0.88 ALOX5 (0.78) TNKSTNKS2PARP1ALOX5POLH
SCHEMBL491032 0.88 ALOX5 (0.78) TNKSTNKS2PARP1ALOX5POLH
SCHEMBL31167385 0.87 CYP3A4 (1.00) TNKSTNKS2PARP1ALOX5POLH
SCHEMBL157723 0.87 CYP3A4 (1.00) TNKSTNKS2PARP1ALOX5POLH
SCHEMBL158519 0.86 PTPRS (1.00) TNKSTNKS2PARP1ALOX5POLH
SCHEMBL2218499 0.86 POLH (0.75) TNKSTNKS2PARP1ALOX5POLH
SCHEMBL12757263 0.85 CSNK2A2 (0.74) TNKSTNKS2PARP1ALOX5POLH
SCHEMBL29929667 0.84 CSNK2A2 (0.81) TNKSTNKS2PARP1ALOX5POLH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114699402-B Use of flavonoids for preparing beta-lactamase inhibitor 陕西省微生物研究所 2024-02-06 CN claimed
CN-114699402-A Application of flavonoid compound in preparation of beta-lactamase inhibitor 陕西省微生物研究所 2022-07-05 CN claimed
CN-118973616-A Trkb ligand conjugated compounds and uses thereof 阿达尔克斯制药有限公司 2024-11-15 CN disclosed
EP-4331564-A1 ANTIOXIDANT COMPOSITION COMPRISING 5-DEOXYFLAVONOIDS Analyticon Discovery GmbH (DE) 2024-03-06 EP disclosed
CN-114699402-B Use of flavonoids for preparing beta-lactamase inhibitor 陕西省微生物研究所 2024-02-06 CN disclosed
CN-114699402-B Use of flavonoids for preparing beta-lactamase inhibitor 陕西省微生物研究所 2024-02-06 CN disclosed
CN-116829544-A Synthesis method of flavonoid dimers and oligomers and application thereof 新加坡国立大学 2023-09-29 CN disclosed
CN-113174376-B Application of polyphenol oxidase and method for synthesizing flavone 四川大学 2023-06-16 CN disclosed
CN-113174376-B Application of polyphenol oxidase and method for synthesizing flavone 四川大学 2023-06-16 CN disclosed
CN-114699402-A Application of flavonoid compound in preparation of beta-lactamase inhibitor 陕西省微生物研究所 2022-07-05 CN disclosed
CN-114699402-A Application of flavonoid compound in preparation of beta-lactamase inhibitor 陕西省微生物研究所 2022-07-05 CN disclosed
EP-4003522-A1 ANTIMYCOTIC Karl-Franzens-Universität Graz (AT) 2022-06-01 EP disclosed