SCHEMBL27699145

SCHEMBL27699145

CC(=O)OC(OC(C)=O)c1ccc2c(c1)OCO2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
CYP3A4 P08684 2/20 0.50
MEN1 O00255 3/20 0.48
HPGD P15428 1/20 0.48
PTGS1 P23219 1/20 0.47
PTGS2 P35354 1/20 0.47
MAPK9 P45984 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
EDNRA P25101 2/20 0.45

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
SCHEMBL11083633 0.85 KMT2A (0.50) KMT2ACYP3A4MEN1HPGDPTGS1
SCHEMBL9799545 0.81 KMT2A (0.50) KMT2ACYP3A4MEN1HPGDMAPK9
SCHEMBL5319077 0.81 KMT2A (0.49) KMT2ACYP3A4MEN1HPGDPTGS1
SCHEMBL3342179 0.80 KMT2A (0.46) KMT2ACYP3A4MEN1HPGDPTGS1
SCHEMBL2298417 0.79 GAA (0.46) KMT2ACYP3A4MEN1HPGDPTGS1
SCHEMBL8412184 0.79 CYP3A4 (0.50) KMT2ACYP3A4MEN1HPGDMAPK1
SCHEMBL8796435 0.78 PTGS1 (0.66) KMT2ACYP3A4MEN1HPGDPTGS1
SCHEMBL15695562 0.78 PTGS1 (0.66) KMT2ACYP3A4MEN1HPGDPTGS1
SCHEMBL9870799 0.78 KMT2A (0.52) KMT2ACYP3A4MEN1HPGDPTGS1
SCHEMBL805660 0.78 EDNRA (0.55) KMT2ACYP3A4MEN1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101029005-B Method for producing 1-acetoxy-piperonyl acetate NANCHANG HELIOEAST SCIENCE AND TECHNOLOGY CO LTD 2010-08-11 CN disclosed
CN-101029005-A Method for producing 1-acetoxy-piperonyl acetate HONGYI SCIENCE & TECHNOLOGY CO (CN) 2007-09-05 CN disclosed