SCHEMBL1738599

SCHEMBL1738599

COc1cc2c(c(Cl)c1O)Oc1c(cc(OC)c(O)c1Cl)C21OC(=O)c2ccc(C(=O)Oc3c(Cl)cc4c(c3Cl)Oc3c(cc(Cl)c(O)c3Cl)C43OC(=O)c4cc(C(=O)O)ccc43)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
USP2 O75604 2/20 0.33
KMT2A Q03164 2/20 0.33
THRB P10828 1/20 0.33
CDK2 P24941 1/20 0.33
CHAT P28329 1/20 0.33
BLVRB P30043 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRMT1 Q99873 1/20 0.33
GNG2 P59768 1/20 0.32
GNB1 P62873 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL3358989 0.97 MEN1 (0.33) MEN1USP2KMT2ATHRBCDK2
SCHEMBL6415591 0.87 MEN1 (0.34) MEN1USP2KMT2ATHRBCDK2
SCHEMBL6037101 0.86 SMAD3 (0.32) GNG2GNB1
SCHEMBL29838713 0.86 MEN1 (0.39) MEN1USP2KMT2ATHRBCDK2
SCHEMBL16118 0.86 MEN1 (0.39) MEN1USP2KMT2ATHRBCDK2
SCHEMBL29353753 0.86 MEN1 (0.39) MEN1USP2KMT2ATHRBCDK2
SCHEMBL345532 0.86 GNG2 (0.40) MEN1USP2KMT2ATHRBCDK2
SCHEMBL29831001 0.86 GNG2 (0.40) MEN1USP2KMT2ATHRBCDK2
SCHEMBL6823049 0.81 RECQL (0.43) MEN1USP2KMT2ATHRBCDK2
SCHEMBL203192 0.81 GNG2 (0.43) MEN1USP2KMT2ATHRBCDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3443353-B1 METHODS AND KITS FOR THE DIAGNOSIS AND RISK STRATIFICATION OF PATIENTS WITH ISCHEMIA FUNDACIO INST DE RECERCA DE LHOSPITAL DE LA SANTA CREU I SANT PAU (ES) 2024-03-13 EP disclosed
EP-3232200-A1 METHODS AND KITS FOR THE DIAGNOSIS AND RISK STRATIFICATION OF PATIENTS WITH ISCHEMIA Institut Catalá De Ciencies Cardiovasculars (ICCC) (ES) 2017-10-18 EP disclosed
EP-2400304-A1 Method for the characterization of intermolecular interactions Centro de Investigación Cooperativa En Biomateriales ( CIC biomaGUNE) (ES) 2011-12-28 EP disclosed