Benzaldehyde

Benzaldehyde

SCHEMBL9745994

CC(=O)OCCCCCCNCCCCCCOC(C)=O.O=Cc1ccccc1

nearest known ligand 0.46

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 8/20 0.46
▸ PTGS2 P35354 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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 SCHEMBL9650000 0.92 LTA4H (0.44) LTA4HPTGS2ALDH1A1CYP2A6KDM4E
Acetic Acid Butyl Ester SCHEMBL28599658 0.83 ALDH1A1 (0.58) ALDH1A1CYP2A6KDM4EHSD17B10MEN1
SCHEMBL9551555 0.81 LMNA (0.39) LTA4HPTGS2ALDH1A1KDM4ELMNA
SCHEMBL68495 0.79 ALDH1A1 (0.56) ALDH1A1HSD17B10GAALMNAACHE
SCHEMBL6850263 0.77 ALDH1A1 (0.55) LTA4HALDH1A1CYP2A6GAALMNA
SCHEMBL6847397 0.77 ALDH1A1 (0.55) LTA4HALDH1A1CYP2A6GAALMNA
SCHEMBL6851329 0.77 ALDH1A1 (0.55) LTA4HALDH1A1CYP2A6GAALMNA
SCHEMBL8475583 0.76 ALDH1A1 (0.46) PTGS2ALDH1A1MEN1NPC1LMNA
SCHEMBL10584115 0.76 CHRM2 (0.40) LTA4HPTGS2ALDH1A1KDM4EHSD17B10
Benzaldehyde SCHEMBL2832223 0.76 SIGMAR1 (0.58) ALDH1A1CYP2A6LMNATDP1

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
EP-0313474-B1 AN OPTICAL ARTICLE EXHIBITING A HIGH LEVEL OF SECOND ORDER POLARIZATION SUSCEPTIBILITY EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1992-12-23 — — EP disclosed
US-4792208-A POLAR ALIGNED NONCENTROSYMMETRIC MOLECULAR DIPOLES; SULFONYL MOIETY AS ELECTRON ACCEPTOR EASTMAN KODAK COMPANY (US) 1988-12-20 — — US disclosed
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