SCHEMBL22816623

SCHEMBL22816623

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1Oc1ccc(C2CCC(=O)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
CYP19A1 P11511 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
NPBWR1 P48145 1/20 0.40
UCHL1 P09936 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 2/20 0.39
DGAT1 O75907 1/20 0.39
MAPT P10636 2/20 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
SCHEMBL22816248 0.91 ALDH1A1 (0.45) KDM4EHPGDCYP19A1SMN1; SMN2ALDH1A1
SCHEMBL22816846 0.89 KDM4E (0.43) KDM4EHPGDCYP19A1SMN1; SMN2ALDH1A1
SCHEMBL22816619 0.88 KDM4E (0.42) KDM4EHPGDCYP19A1SMN1; SMN2ALDH1A1
SCHEMBL22815996 0.87 KDM4E (0.45) KDM4EHPGDCYP19A1SMN1; SMN2ALDH1A1
SCHEMBL22815888 0.85 KDM4E (0.40) KDM4EHPGDCYP19A1SMN1; SMN2ALDH1A1
SCHEMBL22816617 0.85 UCHL1 (0.40) KDM4EHPGDCYP19A1SMN1; SMN2ALDH1A1
SCHEMBL22816413 0.85 ALDH1A1 (0.42) KDM4EHPGDCYP19A1SMN1; SMN2ALDH1A1
SCHEMBL22816268 0.84 KDM4E (0.44) KDM4EHPGDCYP19A1SMN1; SMN2ALDH1A1
SCHEMBL25463564 0.83 KDM4E (0.45) KDM4EHPGDCYP19A1SMN1; SMN2ALDH1A1
SCHEMBL21296893 0.83 CYP19A1 (0.56) KDM4EHPGDCYP19A1SMN1; SMN2ALDH1A1

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