Acetic Acid Butyl Ester

Acetic Acid Butyl Ester

SCHEMBL28846339

CCCCCN.CCCCOC(C)=O

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.75
DNM1 Q05193 8/20 0.48
TSHR P16473 5/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
EPHX1 P07099 1/20 0.48
ATM Q13315 1/20 0.47
NAAA Q02083 1/20 0.45
HTR2C P28335 1/20 0.44
HPGD P15428 1/20 0.44

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
Dodecylamine SCHEMBL28270142 0.94 ALDH1A1 (0.67) ALDH1A1DNM1TSHRMEN1KMT2A
Dodecylamine SCHEMBL29837203 0.90 ALDH1A1 (0.59) ALDH1A1DNM1TSHRMEN1KMT2A
Acetic Acid Butyl Ester SCHEMBL1577486 0.89 ALDH1A1 (0.95) ALDH1A1TSHREPHX1ATMNAAA
Acetic Acid Butyl Ester SCHEMBL27503573 0.87 ALDH1A1 (0.90) ALDH1A1TSHREPHX1ATMNAAA
Nonane SCHEMBL27679811 0.87 ALDH1A1 (0.90) ALDH1A1TSHREPHX1ATMNAAA
SCHEMBL4162531 0.87
Acetic Acid Butyl Ester SCHEMBL7070991 0.87 ALDH1A1 (0.90) ALDH1A1TSHREPHX1ATMNAAA
Acetic Acid Pentyl Ester SCHEMBL4585817 0.87 ALDH1A1 (0.90) ALDH1A1TSHREPHX1ATMNAAA
Decane SCHEMBL15441024 0.87 ALDH1A1 (0.90) ALDH1A1TSHREPHX1ATMNAAA
Octane SCHEMBL8071050 0.87 ALDH1A1 (0.90) ALDH1A1TSHREPHX1ATMNAAA

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-106854451-A Solar cell module sealant, solar cell module and its encapsulating method 北京康美特科技股份有限公司 2017-06-16 CN disclosed