SCHEMBL4259979

SCHEMBL4259979

CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(=O)OC)cc12

nearest known ligand 0.82

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.82
ALDH1A1 P00352 5/20 0.80
HPGD P15428 5/20 0.80
L3MBTL1 Q9Y468 1/20 0.80
MEN1 O00255 3/20 0.74
KMT2A Q03164 3/20 0.74
PTGS2 P35354 3/20 0.72
ATM Q13315 1/20 0.72
NPSR1 Q6W5P4 1/20 0.70
MAPT P10636 2/20 0.67
HSD17B10 Q99714 2/20 0.67
TSHR P16473 1/20 0.67
GAA P10253 1/20 0.66
RAD52 P43351 1/20 0.66
MAPK1 P28482 1/20 0.64
RECQL P46063 1/20 0.64

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
SCHEMBL3536488 0.82 KDM4E (0.78) KDM4EALDH1A1HPGDL3MBTL1MEN1
SCHEMBL3537588 0.80 MEN1 (1.00) KDM4EALDH1A1HPGDL3MBTL1MEN1
SCHEMBL15814003 0.80 MEN1 (0.78) KDM4EALDH1A1HPGDL3MBTL1MEN1
SCHEMBL12668583 0.79 KDM4E (0.74) KDM4EALDH1A1HPGDL3MBTL1MEN1
SCHEMBL3542061 0.79 KDM4E (0.77) KDM4EALDH1A1HPGDL3MBTL1MEN1
SCHEMBL3542063 0.78 KDM4E (0.76) KDM4EALDH1A1HPGDL3MBTL1MEN1
SCHEMBL8872491 0.78 MEN1 (0.74) KDM4EALDH1A1HPGDL3MBTL1MEN1
SCHEMBL20241176 0.77 PTGS2 (0.71) KDM4EALDH1A1HPGDL3MBTL1MEN1
SCHEMBL2840123 0.77 KDM4E (0.78) KDM4EALDH1A1HPGDL3MBTL1MEN1
SCHEMBL3541028 0.76 MEN1 (0.78) KDM4EALDH1A1HPGDL3MBTL1MEN1

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
US-7488721-B2 Real time methylumbelliferone-based assay MCMASTER UNIVERSITY (CA) 2009-02-10 US disclosed
US-20060008862-A1 Real time methylumbelliferone-based assay THE HOSPITAL FOR SICK CHILDREN 2006-01-12 US disclosed