SCHEMBL29699646

SCHEMBL29699646

COc1cc(-c2oc3c(OC)cc(CCCO)cc3c2C=O)ccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FASN P49327 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
CSNK2A2 P19784 4/20 0.39
CSNK2B P67870 4/20 0.39
CSNK2A1 P68400 4/20 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
SCHEMBL3486438 1.00 MEN1 (0.41) MEN1KMT2ACYP3A4ALDH1A1HPGD
SCHEMBL27896979 0.84 MEN1 (0.48) MEN1KMT2ACYP3A4ALDH1A1HPGD
SCHEMBL1973909 0.81 MEN1 (0.53) MEN1KMT2ACYP3A4ALDH1A1HPGD
SCHEMBL1976272 0.81 MEN1 (0.53) MEN1KMT2ACYP3A4ALDH1A1HPGD
SCHEMBL18293522 0.80 ESR1 (0.45) MEN1KMT2ACYP3A4ALDH1A1HPGD
SCHEMBL4846708 0.80 MEN1 (0.48) MEN1KMT2ACYP3A4ALDH1A1HPGD
SCHEMBL13499635 0.77 XDH (0.55) MEN1KMT2ACYP3A4ALDH1A1HPGD
SCHEMBL15210311 0.75 CSNK2A2 (0.46) MEN1KMT2ACYP3A4ALDH1A1HPGD
SCHEMBL18223919 0.74 FASN (0.70) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL29442899 0.74 TNKS2 (0.49) MEN1KMT2ACYP3A4ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116994653-B Sepsis diagnosis model construction method, compound screening method and electronic equipment 南方医科大学南方医院 2024-09-10 CN claimed
CN-116994653-A Sepsis diagnosis model construction method, compound screening method and electronic equipment 南方医科大学南方医院 2023-11-03 CN claimed
CN-116994653-B Sepsis diagnosis model construction method, compound screening method and electronic equipment 南方医科大学南方医院 2024-09-10 CN disclosed
CN-118604207-A Carboxylic acid metabolic marker for distinguishing wild and cultivated silver carp and application thereof 中国水产科学研究院长江水产研究所 2024-09-06 CN disclosed
CN-114751882-B Synthesis method of benzofuran 南京工业大学 2024-02-23 CN disclosed
US-20230374596-A1 APPLICATION OF RED BLOOD CELL NUCLEIC ACID IN IDENTIFYING TUMOR MUTATION TYPES My-Biomed Technology (Guangzhou) Co., Ltd. (CN) 2023-11-23 US disclosed
CN-116994653-A Sepsis diagnosis model construction method, compound screening method and electronic equipment 南方医科大学南方医院 2023-11-03 CN disclosed
EP-4130290-A1 APPLICATION OF RED BLOOD CELL NUCLEIC ACID IN IDENTIFYING TUMOR MUTATION TYPES My-Biomed Technology (Guangzhou) Co., Ltd. (CN) 2023-02-08 EP disclosed
CN-115427421-A 3' -ketoside compounds with slow release of volatile alcohols 格莱克科学有限公司 2022-12-02 CN disclosed
CN-114751882-A Synthetic method of benzofuran 南京工业大学 2022-07-15 CN disclosed
CN-111607661-B Molecular marker primer group based on Camellia oleifera transcriptome hAT transposon and application thereof 北部湾大学 2022-06-14 CN disclosed