Ethoxycarbonyl Group

Ethoxycarbonyl Group

SCHEMBL28016264

CCOC=O.COc1cc2c(c(OC)c1OC)CCC(O)=C2

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.33
TSHR P16473 1/20 0.33
ERN1 O75460 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 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
SCHEMBL6793154 0.73 LMNA (0.40) MAPTERN1TUBB4ATUBBTUBA3C
Methylene Chloride SCHEMBL28111275 0.71 LMNA (0.36) MAPTERN1TUBB4ATUBBTUBA3C
SCHEMBL7814302 0.69 TPMT (0.41) MAPTMEN1KMT2AKDM4ETDP1
SCHEMBL6783071 0.67 KDM4E (0.51) MEN1KMT2AKDM4ETDP1LMNA
SCHEMBL14823524 0.63 KDM4E (0.43) MAPTMEN1KMT2AKDM4ETDP1
Guaiacol SCHEMBL28300008 0.62 TP53 (0.62) MAPTTSHRERN1TUBB1MEN1
Ethoxycarbonyl Group SCHEMBL27636148 0.61 ALDH1A1 (0.39) MAPTTSHRERN1MEN1KMT2A
SCHEMBL1771325 0.60 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6782949 0.60 TUBB4A (0.40) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8395 0.59 PTGS2 (0.53) MAPTTUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104649879-B Substituted benzene methylene 1,2,3,4-Tetrahydrooxonaphthalene analog derivative and preparation method, application 中国人民解放军第二军医大学 2017-01-04 CN claimed
CN-104649879-A Substituted benzylidene tetralone derivatives and preparation method and applications UNIV PLA 2ND MILITARY MEDICAL 2015-05-27 CN claimed
CN-104649879-B Substituted benzene methylene 1,2,3,4-Tetrahydrooxonaphthalene analog derivative and preparation method, application 中国人民解放军第二军医大学 2017-01-04 CN disclosed
CN-104649879-A Substituted benzylidene tetralone derivatives and preparation method and applications UNIV PLA 2ND MILITARY MEDICAL 2015-05-27 CN disclosed