SCHEMBL3839149

SCHEMBL3839149

CNC1CC(O[C@H]2C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)OC(C)C1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.82
KMT2A Q03164 9/20 0.82
THRB P10828 8/20 0.82
BLM P54132 7/20 0.82
RECQL P46063 6/20 0.82
TOP2A P11388 5/20 0.82
TDP1 Q9NUW8 5/20 0.82
HIF1A Q16665 5/20 0.82
SMN1; SMN2 Q16637 5/20 0.82
BRCA1 P38398 5/20 0.82
MAPT P10636 4/20 0.82
MAPK1 P28482 4/20 0.82
HTT P42858 4/20 0.82
PTGS1 P23219 3/20 0.82
CHRM1 P11229 3/20 0.82
TBXA2R P21731 3/20 0.82
KDM4E B2RXH2 3/20 0.82
ALDH1A1 P00352 3/20 0.82
ABCB1 P08183 3/20 0.82
FYN P06241 2/20 0.82

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
SCHEMBL22970097 1.00 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL18816263 1.00 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL13668823 1.00 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL17705921 1.00 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL13154315 1.00 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL13181351 1.00 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL17899511 1.00 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL12022391 1.00 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
Hydrochloric Acid SCHEMBL11273966 0.99 MEN1 (0.82) MEN1KMT2ATHRBBLMRECQL
SCHEMBL28674539 0.97 MEN1 (0.81) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023118294-A1 INHIBITION OF MITOFERRIN 2 AS MEANS FOR INHIBITING CANCER AND CANCER METASTASIS VIB VZW (BE) 2023-06-29 WO disclosed
WO-2022115488-A1 IMMUNOGENIC NANOVESICLES FOR CANCER IMMUNOTHERAPY ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2022-06-02 WO disclosed
EP-1590440-A4 CELL-KILLING MOLECULES AND METHODS OF USE THEREOF PALO ALTO INST OF MOLECULAR ME (US) 2009-03-18 EP disclosed
WO-2007041677-A9 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX INC (US) 2007-05-31 WO disclosed
WO-2007041463-A2 ELECTRICAL DEVICES AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041677-A2 SOFT TISSUE IMPLANTS AND DRUG COMBINATION COMPOSITIONS, AND USE THEREOF COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2007041584-A2 IMPLANTABLE SENSORS, IMPLANTABLE PUMPS, AND ANTI-SCARRING DRUG COMBINATIONS COMBINATORX, INCORPORATED (US) 2007-04-12 WO disclosed
WO-2006083260-A2 COMPOSITIONS AND SYSTEMS FOR FORMING CROSSLINKED BIOMATERIALS AND ASSOCIATED METHODS OF PREPARATION AND USE ANGIOTECH BIOMATERIALS CORPORATION (US) 2006-08-10 WO disclosed
WO-2006078282-A2 COMPOSITIONS AND SYSTEMS FOR FORMING CROSSLINKED BIOMATERIALS AND ASSOCIATED METHODS OF PREPARATION AND USE ANGIOTECH BIOMATERIALS CORPORATION (US) 2006-07-27 WO disclosed
EP-1590440-A2 CELL-KILLING MOLECULES AND METHODS OF USE THEREOF Palo Alto Institute of Molecular Medicine (US) 2005-11-02 EP disclosed
WO-2004070012-A2 CELL-KILLING MOLECULES AND METHODS OF USE THEREOF PALO ALTO INSTITUTE OF MOLECULAR MEDICINE (US) 2004-08-19 WO disclosed