Ethoxycarbonyl Group

Ethoxycarbonyl Group

SCHEMBL28826453

CCOC=O.Clc1ccc(-c2nnco2)cc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 8/20 0.48
▸ PTGS2 P35354 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 2/20 0.44
▸ TSHR P16473 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ PSEN1 P49768 1/20 0.42
▸ PSEN2 P49810 1/20 0.42
▸ APH1B Q8WW43 1/20 0.42
▸ NCSTN Q92542 1/20 0.42
▸ APH1A Q96BI3 1/20 0.42
▸ PSENEN Q9NZ42 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ TLR8 Q9NR97 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
Ethoxycarbonyl Group SCHEMBL27933392 0.87 NOTUM (0.66) NOTUMTP53MAPTTSHRALDH1A1
Ethoxycarbonyl Group SCHEMBL29082677 0.86 NOTUM (0.47) NOTUMTP53MAPTTSHRALDH1A1
Ethoxycarbonyl Group SCHEMBL27868448 0.86 NOTUM (0.62) NOTUMPTGS2TP53MAPTTSHR
Ethoxycarbonyl Group SCHEMBL28826450 0.83 NOTUM (0.47) NOTUMTP53MAPTTSHRALDH1A1
Ethoxycarbonyl Group SCHEMBL29082690 0.82 NOTUM (0.48) NOTUMTP53ALDH1A1TLR8KDM4E
Ethoxycarbonyl Group SCHEMBL27851503 0.81 TSHR (0.44) NOTUMTP53MAPTTSHRALDH1A1
SCHEMBL9096052 0.80 NOTUM (0.64) NOTUMMAPTCYP3A4CYP2D6PSEN1
Ethoxycarbonyl Group SCHEMBL29082342 0.78 KMT2A (0.36) PTGS2MAPTTSHRALDH1A1LMNA
Ethoxycarbonyl Group SCHEMBL27921877 0.77 PTGS2 (0.50) NOTUMPTGS2TP53CYP3A4ALDH1A1
1,4-Dichlorobenzene SCHEMBL27842897 0.76 HSD17B10 (0.42) PTGS2MAPTTSHRCYP3A4ALDH1A1

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-103209979-B therapeutic agent 976 ASTRAZENECA AB (SE) 2016-02-10 — — CN disclosed
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