Benzaldehyde

Benzaldehyde

SCHEMBL8675442

C=O.O=Cc1ccccc1.[NaH]

nearest known ligand 0.82

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.82
CYP2A6 P11509 2/20 0.82
TSHR P16473 2/20 0.48
LMNA P02545 3/20 0.46
TRPA1 O75762 1/20 0.46
ALOX5 P09917 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 1/20 0.43
ALDH5A1 P51649 1/20 0.43
ABAT P80404 1/20 0.43
UNG P13051 1/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PPARG P37231 1/20 0.42
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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 SCHEMBL28115640 0.97 ALDH1A1 (0.88) ALDH1A1CYP2A6TSHRLMNATRPA1
Benzaldehyde SCHEMBL1607821 0.97 ALDH1A1 (0.88) ALDH1A1CYP2A6TSHRLMNATRPA1
Benzaldehyde SCHEMBL27639173 0.94 ALDH1A1 (0.93) ALDH1A1CYP2A6TSHRLMNATRPA1
Benzaldehyde SCHEMBL27855615 0.94 ALDH1A1 (0.93) ALDH1A1CYP2A6TSHRLMNATRPA1
Benzaldehyde SCHEMBL574531 0.94
Benzaldehyde SCHEMBL11525650 0.91 ALDH1A1 (0.88) ALDH1A1CYP2A6TSHRLMNATRPA1
Benzaldehyde SCHEMBL27511497 0.91 ALDH1A1 (0.88) ALDH1A1CYP2A6TSHRLMNATRPA1
Benzaldehyde SCHEMBL8216173 0.91 ALDH1A1 (0.88) ALDH1A1CYP2A6TSHRLMNATRPA1
Benzaldehyde SCHEMBL28384179 0.91 ALDH1A1 (0.88) ALDH1A1CYP2A6TSHRLMNATRPA1
Benzaldehyde SCHEMBL573 0.91

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5807587-A Aldehyde and/or antimicrobial composition for reduction of animal waste odors COX JAMES P (US) 1998-09-15 US disclosed
WO-1995022899-A1 SULFUR AND OXYGEN DEODORANT COMPOSITIONS COX JAMES P (US) 1995-08-31 WO disclosed