Benzaldehyde

Benzaldehyde

SCHEMBL3818933

CCOC(N)=O.O=Cc1ccccc1

nearest known ligand 0.54

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
ALOX15 P16050 1/20 0.54
ALDH1A1 P00352 6/20 0.50
CYP2A6 P11509 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.45
TSHR P16473 1/20 0.44
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
NPC1 O15118 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
MDM2 Q00987 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
(Z)-1,2-Diphenylethene SCHEMBL28619147 0.87 CTDSP1 (0.58) KMT2AMEN1ALOX15ALDH1A1CTDSP1
Adonitol SCHEMBL28510710 0.87 MEN1 (0.43) KMT2AMEN1ALOX15ALDH1A1CYP2A6
Styrene SCHEMBL1256040 0.84 MEN1 (0.53) KMT2AMEN1ALOX15ALDH1A1CTDSP1
Malonic Acid Diethyl Ester SCHEMBL14880154 0.84 MEN1 (0.56) KMT2AMEN1ALDH1A1CYP2A6CTDSP1
Benzaldehyde SCHEMBL8217635 0.84 KMT2A (0.56) KMT2AMEN1ALDH1A1CYP2A6CTDSP1
Benzaldehyde SCHEMBL28240274 0.84 KMT2A (0.56) KMT2AMEN1ALDH1A1CYP2A6CTDSP1
Benzaldehyde SCHEMBL28616809 0.82 KMT2A (0.54) KMT2AMEN1ALDH1A1CYP2A6CTDSP1
Benzaldehyde SCHEMBL27845864 0.82 KMT2A (0.54) KMT2AMEN1ALDH1A1CYP2A6CTDSP1
Styrene SCHEMBL5865142 0.81 MEN1 (0.50) KMT2AMEN1ALOX15ALDH1A1CTDSP1
Styrene SCHEMBL4423746 0.81 MEN1 (0.50) KMT2AMEN1ALOX15ALDH1A1CTDSP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2089052-A1 PEG LINKER COMPOUNDS AND BIOLOGICALLY ACTIVE CONJUGATES THEREOF Peg Biosciences (US) 2009-08-19 EP claimed
WO-2007140282-A1 PEG LINKER COMPOUNDS AND BIOLOGICALLY ACTIVE CONJUGATES THEREOF PEG BIOSCIENCES (US) 2007-12-06 WO claimed
CN-112279999-B Biodegradable radiation-curable urethane (meth) acrylate and preparation method thereof 广东石油化工学院 2022-03-11 CN disclosed
CN-109441188-A A kind of environment-friendly type conducive to observation is moved backward pier position and its technique 台州美杜塑业科技有限公司 2019-03-08 CN disclosed
EP-2089052-A1 PEG LINKER COMPOUNDS AND BIOLOGICALLY ACTIVE CONJUGATES THEREOF Peg Biosciences (US) 2009-08-19 EP disclosed
WO-2007140282-A1 PEG LINKER COMPOUNDS AND BIOLOGICALLY ACTIVE CONJUGATES THEREOF PEG BIOSCIENCES (US) 2007-12-06 WO disclosed