SCHEMBL7622688

SCHEMBL7622688

CCN(CC)NC(=O)CC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 2/20 0.31
KDM6B O15054 1/20 0.31
KDM5C P41229 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31

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
SCHEMBL6480730 0.79 L3MBTL1 (0.41) KDM4EL3MBTL1ALDH1A1TDP1LMNA
SCHEMBL27656889 0.78 KDM4E (0.37) KDM4EL3MBTL1
SCHEMBL27876260 0.77 KDM4E (0.39) KDM4EL3MBTL1PHF8KDM2A
SCHEMBL6227802 0.76
SCHEMBL4915510 0.75 KDM4E (0.38) KDM4EL3MBTL1
SCHEMBL7522493 0.75 HDAC3 (0.50) KDM4EL3MBTL1ALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL11770269 0.74 KDM4E (0.41) KDM4EL3MBTL1ALDH1A1TDP1TSHR
SCHEMBL4449362 0.74 PHF8 (0.52) KDM4EALDH1A1TDP1MGAMGAA
SCHEMBL28204394 0.71 TSHR (0.39) KDM4EL3MBTL1ALDH1A1LMNATSHR
SCHEMBL2774457 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102816540-A Bonding system comprising an adhesive or sealant and a primer SIKA TECHNOLOGY AG 2012-12-12 CN disclosed
EP-0996606-B1 CATALYSED FLUORINATION OF CARBONYL COMPOUNDS F2 CHEMICALS LTD (GB) 2002-01-16 EP disclosed
US-6300511-B1 FLUORINATING CARBONYL COMPOUND BY REPLACEMENT OF ALPHA-HYDROGEN ATOM WITH FLUORINE COMPRISING REACTING COMPOUND WITH FLUORINATING AGENT IN PRESENCE OF CATALYTICALLY EFFECTIVE AMOUNT OF TRANSITION METAL-CONTAINING CATALYST F2 CHEMICALS LIMITED (GB) 2001-10-09 US disclosed
EP-0996606-A1 CATALYSED FLUORINATION OF CARBONYL COMPOUNDS F2 Chemicals Ltd. (GB) 2000-05-03 EP disclosed
WO-1999003802-A1 CATALYSED FLUORINATION OF CARBONYL COMPOUNDS F2 CHEMICALS LIMITED (GB) 1999-01-28 WO disclosed