SCHEMBL6574736

SCHEMBL6574736

O=CC(Cc1ccccc1)=NO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.52
CES1 P23141 2/20 0.46
CES2 O00748 1/20 0.46
AKR1B1 P15121 1/20 0.46
PAM P19021 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
HIF1A Q16665 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL28161572 0.83 CTBP2 (0.41) CTBP2CES1CES2AKR1B1KMT2A
SCHEMBL11522497 0.79 CTBP2 (0.47) CTBP2CES1CES2AKR1B1MEN1
SCHEMBL11573713 0.79 CTBP2 (0.47) CTBP2CES1CES2AKR1B1MEN1
SCHEMBL10205954 0.77 ADH1B (0.41) CTBP2CES1CES2AKR1B1PAM
SCHEMBL6221323 0.75 CES1 (0.57) CTBP2CES1CES2AKR1B1PAM
SCHEMBL1496868 0.72 PLA2G7 (0.45) KMT2AL3MBTL1
SCHEMBL7847432 0.72 CTBP2 (0.41) CTBP2CES1CES2AKR1B1CA1
SCHEMBL7876505 0.71 CTBP2 (0.52) CTBP2CES1CES2AKR1B1MEN1
SCHEMBL7876503 0.71 CTBP2 (0.52) CTBP2CES1CES2AKR1B1MEN1
SCHEMBL25169 0.71 CES1 (0.58) CTBP2CES1CES2AKR1B1PAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109485806-A A kind of super sustained-release polycarboxylic slump retaining agent of esters and preparation method thereof 广东科之杰新材料有限公司 2019-03-19 CN disclosed
CN-106905187-A The synthetic method of the propanedione 2 (O ethoxy carbonyls oxime) of 1 phenyl of light trigger 1,2 怀化金鑫新材料有限公司 2017-06-30 CN disclosed
EP-1436371-A2 ENZYMATIC SYSTEMS FOR GENERATING ACTIVE OXYGEN SPECIES FOR REACTING WITH OTHER PRECURSORS TO OBTAIN OXIDATION AND/OR BLEACHING Call, Krimhild (DE) 2004-07-14 EP disclosed
WO-2002099023-A2 ENZYMATIC SYSTEMS FOR GENERATING ACTIVE OXYGEN SPECIES FOR REACTING WITH OTHER PRECURSORS TO OBTAIN OXIDATION AND/OR BLEACHING CALL, KRIMHILD (DE) 2002-12-12 WO disclosed
EP-0611301-A1 CHELATOR COMPOSITIONS COMPRISING OXIME COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1994-08-24 EP disclosed
EP-0611301-A4 CHELATOR COMPOSITIONS COMPRISING OXIME COMPOUNDS. PROCTER & GAMBLE (US) 1993-03-01 EP disclosed
WO-1991016034-A1 CHELATOR COMPOSITIONS COMPRISING OXIME COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1991-10-31 WO disclosed