Acetic Acid Butyl Ester

Acetic Acid Butyl Ester

SCHEMBL6704840

CCCCOC(C)=O.Cc1ccc(CCCCCO)cc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.47
CYP3A4 P08684 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLCO1B3 Q9NPD5 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
THRB P10828 3/20 0.44
THRA P10827 2/20 0.44
SPHK1 Q9NYA1 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41

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
Butoxyethanol SCHEMBL7130512 0.90 ALDH1A1 (0.55) ALDH1A1LMNACYP3A4MEN1USP2
SCHEMBL3675245 0.87 CTDSP1 (0.49) ALDH1A1LMNATHRBTHRACTDSP1
SCHEMBL16673001 0.85 CTDSP1 (0.50) ALDH1A1LMNACYP3A4CTDSP1KDM4E
Ethyl Acetate SCHEMBL718108 0.84 THRB (0.53) ALDH1A1LMNACYP3A4MEN1KMT2A
Ethyl Acetate SCHEMBL1465262 0.84 THRB (0.53) ALDH1A1LMNACYP3A4MEN1KMT2A
SCHEMBL16672630 0.83 CTDSP1 (0.55) ALDH1A1LMNACYP3A4SMN1; SMN2CTDSP1
Acetic Acid Butyl Ester SCHEMBL8056744 0.83 ALDH1A1 (0.72) ALDH1A1LMNACYP3A4MEN1MAPK1
Acetic Acid Butyl Ester SCHEMBL1527432 0.83 ALDH1A1 (0.72) ALDH1A1LMNACYP3A4MEN1MAPK1
Acetic Acid Butyl Ester SCHEMBL9418066 0.83 ALDH1A1 (0.72) ALDH1A1LMNACYP3A4MEN1MAPK1
Acetic Acid Butyl Ester SCHEMBL3182016 0.83 ALDH1A1 (0.72) ALDH1A1LMNACYP3A4MEN1MAPK1

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
US-20040263405-A1 Method for forming automotive antenna KANSAI PAINT CO., LTD. 2004-12-30 US disclosed