Acetaldehyde

Acetaldehyde

SCHEMBL31570102

CC=O.O=C(O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.52
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
TSHR P16473 4/20 0.36
ALOX15 P16050 1/20 0.36
USP2 O75604 1/20 0.36
ESR1 P03372 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.35
HDAC3 O15379 1/20 0.34
TNKS O95271 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34

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
SCHEMBL814 0.91 HSP90AA1 (0.59) HSP90AA1CA2CA4CA5ATSHR
Acetic Acid SCHEMBL30721072 0.89 HSP90AA1 (0.53) HSP90AA1CA2CA4CA5ATSHR
Toluene SCHEMBL8586261 0.86 HSP90AA1 (0.50) HSP90AA1CA2CA4CA5ATSHR
SCHEMBL1508 0.78 HSP90AA1 (0.55) HSP90AA1CA2CA4CA5ATSHR
SCHEMBL7522374 0.78 HSP90AA1 (0.59) HSP90AA1CA2CA4CA5ATSHR
SCHEMBL28467310 0.77 HSP90AA1 (0.53) HSP90AA1CA2CA4CA5ATSHR
SCHEMBL25419697 0.74 HSP90AA1 (0.40) HSP90AA1TSHRUSP2ALDH1A1POLB
SCHEMBL23757989 0.74 HSP90AA1 (0.55) HSP90AA1CA2CA4CA5ATSHR
SCHEMBL5694513 0.74 HSP90AA1 (0.55) HSP90AA1CA2CA4CA5ATSHR
SCHEMBL28824440 0.74 HSP90AA1 (0.55) HSP90AA1CA2CA4CA5ATSHR

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-119997954-A Compounds for the treatment of spinocerebellar ataxia type 3 PTC医疗公司 2025-05-13 CN disclosed