Ethoxycarbonyl Group

Ethoxycarbonyl Group

SCHEMBL28081500

C#Cc1ccc(Br)cc1.CCOC=O

nearest known ligand 0.36

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ PYCR1 P32322 4/20 0.36
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ S1PR4 O95977 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAOB P27338 2/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA4 P22748 1/20 0.32

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
Phenylacetylene SCHEMBL27463858 0.82 RELA (0.34) KMT2AMEN1NPSR1MAOBCYP2C9
Ethoxycarbonyl Group SCHEMBL28300867 0.81 ALDH1A1 (0.36) PYCR1MAPTMAPK1MAOBGAA
Bromobenzene SCHEMBL27280875 0.76 ALDH1A1 (0.46) KMT2ALMNAMAPTMEN1S1PR4
SCHEMBL391956 0.74 — —
Ethoxycarbonyl Group SCHEMBL27777585 0.73 LMNA (0.37) KMT2ALMNAMAPTMEN1S1PR4
SCHEMBL14129784 0.68 CYP2A6 (0.42) KMT2ALMNAPYCR1MEN1MAPK1
SCHEMBL14140357 0.68 ALDH1A1 (0.48) PYCR1MAPK1MAOBCA12CA1
SCHEMBL17934774 0.67 CYP2A6 (0.36) PYCR1MAOBCA12CA1CA2
SCHEMBL26988644 0.67 PYCR1 (0.44) PYCR1MAOBHDAC8
Ethoxycarbonyl Group SCHEMBL5306888 0.67 ALDH1A1 (0.38) KMT2AMAPK1ALDH1A1

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-106103414-A The substituted benzamides processed for arthropod 拜耳作物科学股份公司 2016-11-09 — — CN disclosed
CN-105873906-A Novel compounds for controlling arthropods 拜耳作物科学股份公司 2016-08-17 — — CN disclosed
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