SCHEMBL22816248

SCHEMBL22816248

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1Oc1ccc(C2CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
CYP19A1 P11511 4/20 0.43
POLB P06746 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
UCHL1 P09936 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 3/20 0.40
HRH3 Q9Y5N1 1/20 0.39
RECQL P46063 1/20 0.39
MEN1 O00255 1/20 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
SCHEMBL22816413 0.92 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTKDM4EHPGD
SCHEMBL22816846 0.91 KDM4E (0.43) ALDH1A1SMN1; SMN2MAPTKDM4EHPGD
SCHEMBL22816623 0.91 KDM4E (0.43) ALDH1A1SMN1; SMN2MAPTKDM4EHPGD
SCHEMBL22815888 0.91 KDM4E (0.40) ALDH1A1SMN1; SMN2MAPTKDM4EHPGD
SCHEMBL22816619 0.89 KDM4E (0.42) ALDH1A1SMN1; SMN2MAPTKDM4EHPGD
SCHEMBL22816807 0.89 CYP19A1 (0.44) MAPTKDM4EHPGDCYP19A1
SCHEMBL22815996 0.89 KDM4E (0.45) ALDH1A1SMN1; SMN2MAPTKDM4EHPGD
SCHEMBL22816617 0.87 UCHL1 (0.40) ALDH1A1SMN1; SMN2MAPTKDM4EHPGD
SCHEMBL22816268 0.85 KDM4E (0.44) ALDH1A1SMN1; SMN2MAPTKDM4EHPGD
SCHEMBL25463564 0.85 KDM4E (0.45) ALDH1A1SMN1; SMN2MAPTKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020257487-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-24 WO disclosed