SCHEMBL27725906

SCHEMBL27725906

COc1ccc(-c2ccc(C=CC=O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
ALDH1A1 P00352 3/20 0.55
CYP2A6 P11509 1/20 0.55
KDM4E B2RXH2 3/20 0.53
CYP3A4 P08684 2/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
TRPA1 O75762 1/20 0.52
RELA Q04206 1/20 0.52

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
Para-Methoxy Cinnamaldehyde SCHEMBL1046275 0.94 ALDH1A1 (0.61) ALDH1A1CYP2A6KDM4ECYP3A4LMNA
Para-Methoxy Cinnamaldehyde SCHEMBL547945 0.94 ALDH1A1 (0.61) ALDH1A1CYP2A6KDM4ECYP3A4LMNA
Para-Methoxy Cinnamaldehyde SCHEMBL514958 0.94 ALDH1A1 (0.61) ALDH1A1CYP2A6KDM4ECYP3A4LMNA
Para-Methoxy Cinnamaldehyde SCHEMBL1226375 0.87 ALDH1A1 (0.53) HDAC8HDAC6ALDH1A1CYP2A6KDM4E
SCHEMBL566691 0.86 ALDH1A1 (0.57) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL11876949 0.86 ALDH1A1 (0.57) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL566692 0.86 ALDH1A1 (0.57) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL11875760 0.86 ALDH1A1 (0.57) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL11876953 0.86 ALDH1A1 (0.57) HDAC8HDAC6HDAC3HDAC1HDAC2
SCHEMBL11875764 0.86 ALDH1A1 (0.57) HDAC8HDAC6HDAC3HDAC1HDAC2

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
CN-101336631-B Use of p-methoxyphenyl cinnamaldehyde in prevention and treatment of plant disease SHANGHAI ACAD AGRI SCIENCES 2011-07-27 CN disclosed
CN-101336631-A Use of p-methoxyphenyl cinnamaldehyde in prevention and treatment of plant disease SHANGHAI ACAD AGRI SCIENCES (CN) 2009-01-07 CN disclosed