Dihydrocinnamaldehyde

Dihydrocinnamaldehyde

SCHEMBL3689341

O=CCCc1ccccc1.O=S(O)O

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 9/20 0.46
KEAP1 Q14145 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH7 P40394 1/20 0.42
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HDAC3 O15379 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1A P35348 1/20 0.41
HDAC4 P56524 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 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
Dihydrocinnamaldehyde SCHEMBL1335 0.89 ADH1B (0.50) GPR52KEAP1TDP1ADH1BADH1C
Dihydrocinnamaldehyde SCHEMBL11053817 0.87 ADH1B (0.48) GPR52KEAP1TDP1ADH1BADH1C
Dihydrocinnamaldehyde SCHEMBL11053918 0.87 ADH1B (0.48) GPR52KEAP1TDP1ADH1BADH1C
Dihydrocinnamaldehyde SCHEMBL5791873 0.87 ADH1B (0.48) GPR52KEAP1TDP1ADH1BADH1C
Dihydrocinnamaldehyde SCHEMBL19810527 0.87 ADH1B (0.48) GPR52KEAP1TDP1ADH1BADH1C
Dihydrocinnamaldehyde SCHEMBL29052009 0.83 TDP1 (0.48) GPR52KEAP1TDP1ADH1BADH1C
Dihydrocinnamaldehyde SCHEMBL28677758 0.83 GPR52 (0.46) GPR52KEAP1TDP1ADH1BADH1C
Dihydrocinnamaldehyde SCHEMBL1092744 0.83 MAOB (0.48) GPR52KEAP1TDP1ADH1BADH1C
Dihydrocinnamaldehyde SCHEMBL7429381 0.82 GPR52 (0.49) GPR52KEAP1TDP1ALDH1A1HDAC3
Dihydrocinnamaldehyde SCHEMBL8109306 0.81 ADH1B (0.43) GPR52KEAP1ADH1BADH1CADH1A

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
WO-2010131274-A1 PROCESS FOR PREPARING HYDROCINNAMIC ALDEHYDES IN ENANTIOPURE OR ENANTIOMERICALLY ENRICHED FORM ENDURA S.P.A (IT) 2010-11-18 WO claimed
WO-2010131274-A1 PROCESS FOR PREPARING HYDROCINNAMIC ALDEHYDES IN ENANTIOPURE OR ENANTIOMERICALLY ENRICHED FORM ENDURA S.P.A (IT) 2010-11-18 WO disclosed