SCHEMBL28249462

SCHEMBL28249462

CC(C)CCOC(=O)/C=C/c1ccccc1.CCCC(=O)OCCC(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
TDP1 Q9NUW8 1/20 0.60
ALDH1A1 P00352 2/20 0.54
AKR1B10 O60218 5/20 0.52
AKR1B1 P15121 5/20 0.52
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
APP P05067 2/20 0.45
MAOB P27338 1/20 0.45
RAB9A P51151 1/20 0.43
CA12 O43570 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42

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
SCHEMBL81835 0.89 LMNA (0.72) LMNATDP1ALDH1A1AKR1B10AKR1B1
SCHEMBL81836 0.89 LMNA (0.72) LMNATDP1ALDH1A1AKR1B10AKR1B1
Methyl Alcohol SCHEMBL21995794 0.88 LMNA (0.70) LMNATDP1ALDH1A1AKR1B10AKR1B1
Isobutyl Cinnamate SCHEMBL28250183 0.85 LMNA (0.50) LMNATDP1ALDH1A1AKR1B10AKR1B1
Isobutyl Cinnamate SCHEMBL9466311 0.84 LMNA (0.65) LMNATDP1ALDH1A1AKR1B10AKR1B1
Isobutyl Cinnamate SCHEMBL9466315 0.84 LMNA (0.65) LMNATDP1ALDH1A1AKR1B10AKR1B1
SCHEMBL27842258 0.84 TDP1 (0.50) LMNATDP1ALDH1A1AKR1B10AKR1B1
Phenethyl Cinnamate SCHEMBL28250131 0.84 AKR1B10 (0.77) LMNATDP1ALDH1A1AKR1B10AKR1B1
Butyric Acid SCHEMBL28235651 0.83 LMNA (0.43) LMNATDP1ALDH1A1AKR1B10AKR1B1
SCHEMBL6924526 0.83 LMNA (0.56) LMNATDP1ALDH1A1AKR1B10AKR1B1

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