Phenylacetaldehyde

Phenylacetaldehyde

SCHEMBL9308065

O=CCc1ccccc1.O=CCc1ccccc1.O=CCc1ccccc1.[Y]

nearest known ligand 0.60

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.60
ADH1B P00325 1/20 0.48
ADH1C P00326 1/20 0.48
ADH1A P07327 1/20 0.48
ADH7 P40394 1/20 0.48
CALM1 P0DP23 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ARG2 P78540 1/20 0.44
EPHX1 P07099 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
EPHX2 P34913 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
AKR1B1 P15121 1/20 0.42
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
IDO1 P14902 1/20 0.41

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
Phenylacetaldehyde SCHEMBL3319438 0.97 MAOB (0.63) MAOBADH1BADH1CADH1AADH7
Phenylacetaldehyde SCHEMBL31725265 0.97
Phenylacetaldehyde SCHEMBL18972 0.97
Phenylacetaldehyde SCHEMBL31402006 0.97
Phenylacetaldehyde SCHEMBL2461523 0.94 MAOB (0.60) MAOBADH1BADH1CADH1AADH7
Phenylacetaldehyde SCHEMBL3115647 0.94 MAOB (0.60) MAOBADH1BADH1CADH1AADH7
Phenylacetaldehyde SCHEMBL7873433 0.94 MAOB (0.60) MAOBADH1BADH1CADH1AADH7
Phenylacetaldehyde SCHEMBL3111524 0.94 MAOB (0.60) MAOBADH1BADH1CADH1AADH7
Phenylacetaldehyde SCHEMBL5803411 0.94 MAOB (0.60) MAOBADH1BADH1CADH1AADH7
Phenylacetaldehyde SCHEMBL4700058 0.94 MAOB (0.60) MAOBADH1BADH1CADH1AADH7

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-5288841-A Fluidized bed ring-opening polymerization process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-02-22 US disclosed
WO-1992004394-A1 FLUIDIZED BED RING-OPENING POLYMERIZATION E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-03-19 WO disclosed