SCHEMBL4570534

SCHEMBL4570534

CCOC(=O)c1cc(Cl)cc(OCc2ccc(OC)cc2)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.47
PTPN11 Q06124 1/20 0.43
MAPT P10636 5/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.43
MAOA P21397 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
HPGD P15428 1/20 0.41
CCR6 P51684 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL4556609 0.85 POLB (0.51) MAOBMAPTGAAKDM4EMEN1
SCHEMBL9356533 0.82 MAOB (0.50) MAOBPTPN11MAPTGAAKDM4E
SCHEMBL1950402 0.81 MAOB (0.47) MAOBGAAKDM4EMEN1KMT2A
SCHEMBL9356233 0.76 MAOB (0.48) MAOBMAPTGAAKDM4EMEN1
SCHEMBL1301262 0.75 MAPT (0.49) MAOBMAPTGAAKDM4EMEN1
SCHEMBL12109050 0.75 MAOB (0.48) MAOBMAPTGAAKDM4EMEN1
SCHEMBL9359618 0.74 KDM4E (0.54) MAOBMAPTKDM4EMEN1LMNA
SCHEMBL9732613 0.74 MAOB (0.58) MAOBMAPTMEN1KMT2APOLB
SCHEMBL12968393 0.74 MAOB (0.58) MAOBMAPTMEN1KMT2APOLB
SCHEMBL25151518 0.74 GAA (0.53) MAOBPTPN11MAPTGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125728-A1 NOVEL COMBINATION OF COMPOUNDS TO BE USED IN THE TREATMENT OF AIRWAY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2008103125-A1 NOVEL COMBINATION OF COMPOUNDS TO BE USED IN THE TREATMENT OF AIRWAY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA ASTRAZENECA AB (SE) 2008-08-28 WO disclosed