SCHEMBL22816617

SCHEMBL22816617

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1Oc1ccc(C2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
CYP19A1 P11511 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
METAP2 P50579 2/20 0.39
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL22816619 0.89 KDM4E (0.42) UCHL1KDM4EHPGDCYP19A1SMN1; SMN2
SCHEMBL22816846 0.89 KDM4E (0.43) UCHL1KDM4EHPGDCYP19A1SMN1; SMN2
SCHEMBL22816248 0.87 ALDH1A1 (0.45) UCHL1KDM4EHPGDCYP19A1SMN1; SMN2
SCHEMBL22815996 0.87 KDM4E (0.45) UCHL1KDM4EHPGDCYP19A1SMN1; SMN2
SCHEMBL22816623 0.85 KDM4E (0.43) UCHL1KDM4EHPGDCYP19A1SMN1; SMN2
SCHEMBL22815888 0.82 KDM4E (0.40) UCHL1KDM4EHPGDCYP19A1SMN1; SMN2
SCHEMBL22816413 0.82 ALDH1A1 (0.42) KDM4EHPGDCYP19A1SMN1; SMN2ALDH1A1
SCHEMBL25463564 0.82 KDM4E (0.45) UCHL1KDM4EHPGDCYP19A1SMN1; SMN2
SCHEMBL25465650 0.80 KDM4E (0.43) UCHL1KDM4EHPGDCYP19A1SMN1; SMN2
SCHEMBL22816268 0.80 KDM4E (0.44) UCHL1KDM4EHPGDCYP19A1SMN1; SMN2

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