SCHEMBL952822

SCHEMBL952822

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3OC1CC(NI)C(O)C(C)O1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.81
KMT2A Q03164 9/20 0.81
THRB P10828 8/20 0.81
BLM P54132 7/20 0.81
RECQL P46063 6/20 0.81
TOP2A P11388 5/20 0.81
TDP1 Q9NUW8 5/20 0.81
HIF1A Q16665 5/20 0.81
SMN1; SMN2 Q16637 5/20 0.81
BRCA1 P38398 5/20 0.81
MAPT P10636 4/20 0.81
MAPK1 P28482 4/20 0.81
HTT P42858 4/20 0.81
PTGS1 P23219 3/20 0.81
CHRM1 P11229 3/20 0.81
TBXA2R P21731 3/20 0.81
KDM4E B2RXH2 3/20 0.81
ALDH1A1 P00352 3/20 0.81
ABCB1 P08183 3/20 0.81
FYN P06241 2/20 0.81

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
SCHEMBL22970091 1.00 MEN1 (0.81) MEN1KMT2ATHRBBLMRECQL
Hydrochloric Acid SCHEMBL7518177 0.99 MEN1 (0.81) MEN1KMT2ATHRBBLMRECQL
SCHEMBL29001099 0.95 MEN1 (0.81) MEN1KMT2ATHRBBLMRECQL
SCHEMBL43830 0.94 MEN1 (0.83) MEN1KMT2ATHRBBLMRECQL
SCHEMBL13154315 0.94 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL20548043 0.94 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL17705921 0.94 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL22970097 0.94 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL111629 0.94 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL13181351 0.94 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL

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 152 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102365024-A Compounds, compositions and methods for preventing metastasis of cancer cells AKEBIA THERAPEUTICS INC 2012-02-29 CN claimed
US-6740333-B2 MAY FURTHER COMPRISE A PLURALITY OF OPEN CELLS AT LEAST PARTLY SEPARATED FROM ONE ANOTHER BY AN INTERPENETRATING MATRIX COMPRISING AT LEAST ONE BIOCOMPATIBLE POLYMER IN BRANCHED OR CROSSLINKED FORM; NON-BIODEGRADABLE ANESTIC APS (DK) 2004-05-25 US claimed
CN-118359610-A MENIN-MLL interaction inhibitors 生命医药有限责任公司 2024-07-19 CN disclosed
CN-109952309-B Constitutive active cytokine receptors for cell therapy 贝勒医学院 2024-06-07 CN disclosed
CN-110199018-B Chimeric poxvirus compositions and uses thereof 希望之城 2024-06-07 CN disclosed
CN-108472258-B Formulations/compositions comprising BTK inhibitors 詹森药业有限公司 2024-05-24 CN disclosed
CN-112689528-B Pyrimidinyl-heteroaryloxy-naphthyl compounds and methods of use 基因泰克公司 2024-05-14 CN disclosed
CN-117999363-A Compositions and methods for cell-free DNA epigenetic gastrointestinal cancer detection and treatment 希望之城 2024-05-07 CN disclosed
CN-114341159-B Compounds comprising fibroblast activation protein ligands and uses thereof 3B制药有限公司 2024-04-26 CN disclosed
CN-117886943-A Anti-renalase antibodies for the treatment and prevention of diseases and conditions 耶鲁大学 2024-04-16 CN disclosed
CN-113149983-B Tyrosine kinase inhibitors 普林斯匹亚生物制药公司 2024-03-29 CN disclosed
US-6063911-A ANTITUMOR AGENT OF AT LEAST ONE ENDOTHELIN ANTAGONIST WITH A HIGH MOLECULAR WEIGHT POLY-BETA-1->4-N-ACETYLGLUCOSAMINE POLYSACCHARIDE MATRIX; ANTIPROLIFERATIVE/ANTICARCINOGENIC/ ANTIMETASTASIS AGENTS MARINE POLYMER TECHNOLOGIES, INC. (US) 2000-05-16 US disclosed
US-5858350-A CHITIN, CHITOSAN MARINE POLYMER TECHNOLOGIES (US) 1999-01-12 US disclosed
US-5846952-A Methods and compositions for poly-β-1-4-N-acetylglucosamine drug delivery MARINE POLYMER TECHNOLOGIES, INC. (US) 1998-12-08 US disclosed
WO-1998046286-A1 BIODEGRADABLE COMPOUNDS, COMPOSITIONS, ARTICLES AND METHODS FOR MAKING AND USING THE SAME JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) 1998-10-22 WO disclosed
CN-1184123-A Organic optical component MITSUI TOATSU CHEMICALS (JP) 1998-06-10 CN disclosed
US-5686115-A Poly-β-1→4-N-acetylucosamine copolymer composition with collagen MARINE POLYMER TECHNOLOGIES, INC. (US) 1997-11-11 US disclosed
US-5635493-A ADMINISTERING ENCAPSULATED ANTITUMOR DRUG MARINE POLYMER TECHNOLOGIES, INC. (US) 1997-06-03 US disclosed
US-5624679-A REDUCTION OF POST-SURGICAL ADHESIONS MARINE POLYMER TECHNOLOGIES, INC. (US) 1997-04-29 US disclosed
WO-1996039122-A1 POLY-β-1→4-N-ACETYLGLUCOSAMINE MARINE POLYMER TECHNOLOGIES, INC. (US) 1996-12-12 WO disclosed