SCHEMBL6624145

SCHEMBL6624145

CCOC(=O)c1cc(O)n(C)c(=O)c1C#N

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.57
GLA P06280 2/20 0.57
ATM Q13315 1/20 0.57
ALDH1A1 P00352 8/20 0.52
MAPT P10636 4/20 0.52
HSD17B10 Q99714 4/20 0.52
GAA P10253 3/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
KMT2A Q03164 2/20 0.49
STAT3 P40763 1/20 0.48
L3MBTL1 Q9Y468 5/20 0.48
HPGD P15428 2/20 0.47
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43

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
SCHEMBL11835922 0.79 ALDH1A1 (0.42) KDM4EALDH1A1MAPTHSD17B10KMT2A
SCHEMBL22890214 0.74 KDM4E (0.52) KDM4EGLAATMALDH1A1MAPT
SCHEMBL9464595 0.73 KDM4E (0.42) KDM4EGLAALDH1A1MAPTHSD17B10
SCHEMBL4614217 0.73 KDM4E (0.53) KDM4EALDH1A1MAPTHSD17B10KMT2A
SCHEMBL6137032 0.73 KDM4E (0.58) KDM4EGLAATMALDH1A1MAPT
SCHEMBL9673024 0.72 KDM4E (1.00) KDM4EGLAATMALDH1A1MAPT
SCHEMBL11584641 0.72 KDM4E (0.58) KDM4EGLAATMALDH1A1MAPT
SCHEMBL14846526 0.71 KDM4E (0.44) KDM4EGLAATMALDH1A1MAPT
SCHEMBL9236279 0.70 TSHR (0.63) KDM4EGLAATMALDH1A1MAPT
SCHEMBL29151319 0.69 CA12 (0.51) KDM4EGLAATMALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377976-A2 OPTICAL DATA CARRIER THAT CONTAINS A MEROCYANINE DYE AS THE LIGHT-ABSORBING COMPOUND IN THE INFORMATION LAYER Bayer Chemicals AG (DE) 2004-01-07 EP disclosed
US-20030003396-A1 Optical data carrier comprising a merocyanine dye as light-absorbent compound in the information layer LANXESS DEUTSCHLAND GMBH (DE) 2003-01-02 US disclosed
WO-2002080161-A2 OPTICAL DATA CARRIER THAT CONTAINS A MEROCYANINE DYE AS THE LIGHT-ABSORBING COMPOUND IN THE INFORMATION LAYER BAYER AKTIENGESELLSCHAFT (DE) 2002-10-10 WO disclosed