Acetic Acid Propyl Ester

Acetic Acid Propyl Ester

SCHEMBL28249381

CCCOC(=O)c1ccco1.CCCOC(C)=O

nearest known ligand 0.66

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
MAPT P10636 2/20 0.66
ALDH1A1 P00352 8/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
LMNA P02545 2/20 0.51
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
MAPK10 P53779 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL1532433 0.94 KMT2A (0.73) KMT2AMAPTALDH1A1SMN1; SMN2LMNA
Fumaric Acid SCHEMBL28623934 0.85 KMT2A (0.63) KMT2AMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL28865678 0.85 ALDH1A1 (0.59) KMT2AMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL2418046 0.84 KMT2A (0.65) KMT2AMAPTALDH1A1LMNATSHR
SCHEMBL11039202 0.83 ALDH1A1 (0.62) KMT2AMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL891541 0.83 ALDH1A1 (0.66) KMT2AMAPTALDH1A1LMNATSHR
SCHEMBL27999644 0.82 KMT2A (0.54) KMT2AMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL25291024 0.81 ALDH1A1 (0.64) KMT2AMAPTALDH1A1LMNATSHR
SCHEMBL19810540 0.81 ALDH1A1 (0.64) KMT2AMAPTALDH1A1LMNATSHR
SCHEMBL1532462 0.81 ALDH1A1 (0.64) KMT2AMAPTALDH1A1LMNATSHR

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