Benzaldehyde

Benzaldehyde

SCHEMBL28616809

CCOC(=O)C=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
ALDH1A1 P00352 3/20 0.50
CYP2A6 P11509 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.45
MAPT P10636 6/20 0.44
TSHR P16473 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
RAB9A P51151 4/20 0.43
LMNA P02545 3/20 0.43
MDM2 Q00987 3/20 0.43
NPC1 O15118 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 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
Benzaldehyde SCHEMBL8075271 0.86 KMT2A (0.51) KMT2AMEN1ALDH1A1CYP2A6CTDSP1
Benzaldehyde SCHEMBL10873050 0.86 KMT2A (0.51) KMT2AMEN1ALDH1A1CYP2A6CTDSP1
Toluene SCHEMBL1396212 0.85 MEN1 (0.49) KMT2AMEN1ALDH1A1MAPTTSHR
Biphenyl SCHEMBL6455168 0.85 MEN1 (0.49) KMT2AMEN1ALDH1A1MAPTTSHR
Ethyl Cinnamate SCHEMBL21408513 0.85 CA12 (0.64) KMT2AMEN1ALDH1A1MAPTCA12
Ethyl Cinnamate SCHEMBL21408514 0.85 CA12 (0.64) KMT2AMEN1ALDH1A1MAPTCA12
Benzaldehyde SCHEMBL28240274 0.84 KMT2A (0.56) KMT2AMEN1ALDH1A1CYP2A6CTDSP1
Benzaldehyde SCHEMBL8217635 0.84 KMT2A (0.56) KMT2AMEN1ALDH1A1CYP2A6CTDSP1
Malonic Acid Diethyl Ester SCHEMBL14880154 0.84 MEN1 (0.56) KMT2AMEN1ALDH1A1CYP2A6CTDSP1
Bromobenzene SCHEMBL27704673 0.82 MAPT (0.46) KMT2AMEN1ALDH1A1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113302232-A Method for producing porous material 巴斯夫欧洲公司 2021-08-24 CN disclosed