SCHEMBL28375643

SCHEMBL28375643

CC(C(N)=O)=C(C)c1ccc(C=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
PARP10 Q53GL7 1/20 0.50
PARP3 Q9Y6F1 1/20 0.50
CYP2A6 P11509 4/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
TYR P14679 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2A13 Q16696 1/20 0.38
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NQO2 P16083 1/20 0.36
ALDH1A3 P47895 2/20 0.35
ALDH3A1 P30838 1/20 0.35
KCNJ1 P48048 1/20 0.35

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
SCHEMBL59796 0.85 NOS1 (0.43) ALDH1A1PARP10TDP1L3MBTL1
SCHEMBL317442 0.76 PARP10 (0.77) ALDH1A1PARP10PARP3CYP2A6ALDH5A1
SCHEMBL97268 0.76 ALDH1A1 (0.62) ALDH1A1PARP10PARP3CYP2A6ALDH5A1
SCHEMBL28377559 0.75 MAPT (0.51) POLBNQO2
SCHEMBL28382081 0.75 LMNA (0.50) ALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL28379021 0.75 CES2 (0.50) ALDH1A1NQO2
SCHEMBL4744665 0.74 TSHR (0.54) ALDH1A1HSD17B10POLBTDP1L3MBTL1
SCHEMBL4744670 0.74 TSHR (0.54) ALDH1A1HSD17B10POLBTDP1L3MBTL1
SCHEMBL27717499 0.73 ALDH1A1 (0.58) ALDH1A1PARP10PARP3CYP2A6ALDH5A1
SCHEMBL28379400 0.72 CA1 (0.64) ALDH1A1PARP10HSD17B10

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-111018735-B Preparation method of cinnamamide compound 河南农业大学 2021-09-07 CN disclosed
CN-111018735-A Preparation method of cinnamamide 河南农业大学 2020-04-17 CN disclosed