Benzaldehyde

Benzaldehyde

SCHEMBL5884311

O=Cc1ccccc1.O=Cc1ccccc1.O=Cc1ccccc1.O=Cc1ccccc1.O=Cc1ccccc1.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O.O=[N+]([O-])O

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ERG11

The experimentally established mechanism targets of Benzaldehyde. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.67
▸ CYP2A6 P11509 1/20 0.67
▸ FBP1 P09467 4/20 0.50
▸ PRMT1 Q99873 1/20 0.48
▸ KMT2A Q03164 3/20 0.43
▸ ALDH5A1 P51649 2/20 0.42
▸ ABAT P80404 2/20 0.42
▸ NFE2L2 Q16236 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ UNG P13051 1/20 0.42
▸ CYP1B1 Q16678 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TRPA1 O75762 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ PSMD14 O00487 1/20 0.39
▸ APAF1 O14727 1/20 0.39
▸ USP2 O75604 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 SCHEMBL11554014 1.00 ALDH1A1 (0.67) ALDH1A1CYP2A6FBP1PRMT1KMT2A
Benzaldehyde SCHEMBL28257241 0.85 ALDH1A1 (0.58) ALDH1A1CYP2A6FBP1PRMT1KMT2A
Benzaldehyde SCHEMBL28945328 0.84 ALDH1A1 (0.93) ALDH1A1CYP2A6KMT2AALDH5A1ABAT
Benzaldehyde SCHEMBL28324856 0.84 ALDH1A1 (0.93) ALDH1A1CYP2A6KMT2AALDH5A1ABAT
Benzaldehyde SCHEMBL27987141 0.82 ALDH1A1 (0.62) ALDH1A1CYP2A6FBP1KMT2ANFE2L2
Benzaldehyde SCHEMBL28351048 0.82 ALDH1A1 (0.88) ALDH1A1CYP2A6KMT2AALDH5A1ABAT
Benzaldehyde SCHEMBL10051945 0.82 — —
Benzaldehyde SCHEMBL896024 0.82 ALDH1A1 (1.00) ALDH1A1CYP2A6KMT2AALDH5A1ABAT
Benzaldehyde SCHEMBL573 0.82 — —
Benzaldehyde SCHEMBL22400699 0.82 ALDH1A1 (1.00) ALDH1A1CYP2A6KMT2AALDH5A1ABAT

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-7086335-B2 Redundant signal transmission system and deployment means SHOCK TUBE SYSTEMS, INC. (US) 2006-08-08 — — US claimed
US-20050016370-A1 Redundant signal transmission system and deployment means U.S. BANK NATIONAL ASSOCIATION 2005-01-27 — — US claimed
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