SCHEMBL29067705

SCHEMBL29067705

O=C1OCCOC1CCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PLA2G6 O60733 2/20 0.40
PLA2G4A P47712 1/20 0.40
NAAA Q02083 3/20 0.40
FAAH O00519 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
KLF5 Q13887 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL8888718 0.80 MAOB (0.41)
SCHEMBL19376943 0.76 TAAR1 (0.46) TAAR1PLA2G6PLA2G4ANAAAFAAH
SCHEMBL7978253 0.73 PLA2G6 (0.58) PLA2G6PLA2G4ANAAAFAAHMAPT
SCHEMBL11870917 0.69 FASN (0.45)
SCHEMBL29097002 0.69 PLA2G6 (0.43) TAAR1PLA2G6PLA2G4AL3MBTL1
SCHEMBL4496886 0.69 CYP3A4 (0.43) TAAR1PLA2G6PLA2G4ANAAAMAPT
SCHEMBL11698709 0.69 CYP1A2 (0.34)
SCHEMBL51024 0.69 MEN1 (0.69) TAAR1MEN1KMT2A
SCHEMBL17705928 0.68 PLA2G6 (0.49) TAAR1MEN1KMT2APLA2G6PLA2G4A
SCHEMBL19540549 0.68 PLA2G6 (0.49) TAAR1MEN1KMT2APLA2G6PLA2G4A

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-116554069-A Preparation method and preparation equipment of formate compound 绍兴贝斯美化工股份有限公司 2023-08-08 CN claimed
CN-116554069-A Preparation method and preparation equipment of formate compound 绍兴贝斯美化工股份有限公司 2023-08-08 CN disclosed