Isobutyl Cinnamate

Isobutyl Cinnamate

SCHEMBL28249487

CC(C)COC(=O)/C=C/c1ccccc1.CC(C)COC(=O)CCc1ccco1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
L3MBTL1 Q9Y468 5/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
AKR1B10 O60218 1/20 0.43
AKR1B1 P15121 1/20 0.43
ATM Q13315 2/20 0.43
LMNA P02545 3/20 0.42
POLB P06746 6/20 0.42
TDP1 Q9NUW8 5/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
HTT P42858 2/20 0.42
RECQL P46063 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
AKR1C3 P42330 1/20 0.41
RAB9A P51151 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.40
CACNA1B Q00975 1/20 0.39

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
SCHEMBL872744 0.85 ALDH1A1 (0.47) ALDH1A1L3MBTL1KMT2ALMNAPOLB
Isobutyl Cinnamate SCHEMBL28250183 0.81 LMNA (0.50) ALDH1A1L3MBTL1MEN1KMT2AAKR1B10
Isobutyl Cinnamate SCHEMBL868715 0.81 LMNA (0.61) ALDH1A1L3MBTL1MEN1KMT2AAKR1B10
Isobutyl Cinnamate SCHEMBL868714 0.81 LMNA (0.61) ALDH1A1L3MBTL1MEN1KMT2AAKR1B10
Isobutyl Cinnamate SCHEMBL14763629 0.77 HDAC3 (0.58) ALDH1A1L3MBTL1MEN1KMT2AAKR1B10
SCHEMBL28249440 0.76 MAPT (0.49) ALDH1A1MEN1KMT2ALMNATDP1
SCHEMBL5962967 0.76 LMNA (0.63) ALDH1A1L3MBTL1MEN1KMT2AAKR1B10
SCHEMBL5962968 0.76 LMNA (0.63) ALDH1A1L3MBTL1MEN1KMT2AAKR1B10
Isobutyl Cinnamate SCHEMBL9466311 0.74 LMNA (0.65) ALDH1A1MEN1KMT2AAKR1B10AKR1B1
Isobutyl Cinnamate SCHEMBL9466315 0.74 LMNA (0.65) ALDH1A1MEN1KMT2AAKR1B10AKR1B1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108601958-A Pro-perfume compositions 爱客多有限公司 2018-09-28 CN disclosed