Benzaldehyde

Benzaldehyde

SCHEMBL6678313

O=Cc1ccccc1.O=Cc1ccccc1I

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
CYP2A6 P11509 2/20 0.64
LMNA P02545 3/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
BLM P54132 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TSHR P16473 1/20 0.43
TRIM24 O15164 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
GAA P10253 1/20 0.41
PPARG P37231 1/20 0.41
APP P05067 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPA1 O75762 1/20 0.38
ALOX5 P09917 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
SCHEMBL97071 0.88
SCHEMBL29661768 0.88
Benzaldehyde SCHEMBL573 0.80
Benzaldehyde SCHEMBL9236967 0.80
Benzaldehyde SCHEMBL6061133 0.80 ALDH1A1 (1.00) ALDH1A1CYP2A6LMNAKMT2AMEN1
Benzaldehyde SCHEMBL1330097 0.80
Benzaldehyde SCHEMBL10051945 0.80
Benzaldehyde SCHEMBL896024 0.80 ALDH1A1 (1.00) ALDH1A1CYP2A6LMNAKMT2AMEN1
Benzaldehyde SCHEMBL22400699 0.80 ALDH1A1 (1.00) ALDH1A1CYP2A6LMNAKMT2AMEN1
Benzaldehyde SCHEMBL3685947 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927726-B1 PHOTOCATALYTIC COMPOSITION NIPPON SODA CO (JP) 2004-11-10 EP disclosed
EP-0927726-A4 PHOTOCATALYTIC COMPOSITION NIPPON SODA CO (JP) 1999-12-15 EP disclosed
WO-1998012232-A1 PHOTOCATALYTIC COMPOSITION NIPPON SODA CO., LTD. (JP) 1998-03-26 WO disclosed