SCHEMBL5696809

SCHEMBL5696809

CC(C)C(C)OC(=O)Nc1cccc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
KMT2A Q03164 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
ALDH1A1 P00352 2/20 0.60
HPGD P15428 1/20 0.60
GAA P10253 1/20 0.54
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.48
ANPEP P15144 1/20 0.48
EPHX1 P07099 1/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL799890 0.88 KDM4E (0.64) KDM4EKMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL7300480 0.84 KDM4E (0.57) KDM4EKMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL30374739 0.84 KDM4E (0.60) KDM4EKMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL14306608 0.82 KDM4E (0.73) KDM4EKMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL17880836 0.82 KDM4E (0.73) KDM4EKMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL283066 0.80 ALDH1A1 (0.71) KDM4EKMT2AALDH1A1HPGDGAA
SCHEMBL7305558 0.78 KDM4E (0.57) KDM4EKMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL10959557 0.78 ALDH1A1 (0.71) KDM4EKMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL26181912 0.77 ALDH1A1 (0.62) KDM4EKMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL7305671 0.77 KDM4E (0.59) KDM4EKMT2AL3MBTL1ALDH1A1HPGD

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
EP-1118644-B1 Hot melt printing ink SIEGWERK DRUCKFARBEN AG (DE) 2006-06-14 EP disclosed
EP-1118644-A2 Hot melt printing ink Siegwerk Druckfarben GmbH & Co. KG (DE) 2001-07-25 EP disclosed