Benzaldehyde

Benzaldehyde

SCHEMBL8217635

CCOC(C)=O.O=Cc1ccccc1

nearest known ligand 0.56

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
ALDH1A1 P00352 7/20 0.52
LMNA P02545 2/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP2A6 P11509 1/20 0.52
RAB9A P51151 4/20 0.47
CTDSP1 Q9GZU7 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
NPC1 O15118 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
MDM2 Q00987 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
HPGD P15428 1/20 0.43
XBP1 P17861 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 SCHEMBL27845864 0.98 KMT2A (0.54) KMT2AMEN1ALDH1A1LMNAHSD17B10
Benzoquinone SCHEMBL11813410 0.92 KMT2A (0.49) KMT2AMEN1ALDH1A1LMNAHSD17B10
Benzaldehyde SCHEMBL28072671 0.88 MEN1 (0.45) KMT2AMEN1ALDH1A1LMNAHSD17B10
(Z)-1,2-Diphenylethene SCHEMBL28875263 0.87 CTDSP1 (0.59) KMT2AMEN1ALDH1A1LMNAHSD17B10
Benzaldehyde SCHEMBL28240274 0.85 KMT2A (0.56) KMT2AMEN1ALDH1A1LMNACYP2A6
Malonic Acid Diethyl Ester SCHEMBL14880154 0.85 MEN1 (0.56) KMT2AMEN1ALDH1A1LMNACYP2A6
Benzaldehyde SCHEMBL28696102 0.84 MEN1 (0.51) KMT2AMEN1ALDH1A1LMNACYP2A6
Benzaldehyde SCHEMBL3818933 0.84 KMT2A (0.54) KMT2AMEN1ALDH1A1LMNAHSD17B10
Benzaldehyde SCHEMBL28616809 0.84 KMT2A (0.54) KMT2AMEN1ALDH1A1LMNACYP2A6
Styrene SCHEMBL27636445 0.84 MEN1 (0.54) KMT2AMEN1ALDH1A1LMNAHSD17B10

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
US-4855436-A RECRYSTALLIZATION FROM SOLVENTS JET RESEARCH CENTER, INC. (US) 1989-08-08 US claimed
CN-116590251-A Alcohol oxidase mutant and encoding gene and application thereof 华南理工大学 2023-08-15 CN disclosed
CN-112341361-A Preparation method of mandelonitrile 安徽泰格生物科技有限公司 2021-02-09 CN disclosed
CN-102858944-B Delivery of particles 宝洁公司 2016-08-24 CN disclosed
US-6160067-A Reactive silica particles, process for manufacturing the same, use of the same DSM N.V. (NL) 2000-12-12 US disclosed
EP-0012845-A1 Tetrahydroisoquinoline compounds, process for preparing same and pharmaceutical compositions containing them Tanabe Seiyaku Co., Ltd. (JP) 1980-07-09 EP disclosed