SCHEMBL17080678

SCHEMBL17080678

CC(C)(C)OC(=O)N(CCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1)CCNC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ FAAH O00519 2/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ GAA P10253 1/20 0.37
▸ GHSR Q92847 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.34
▸ TMEM97 Q5BJF2 2/20 0.34
▸ SIGMAR1 Q99720 2/20 0.34
▸ BCL9 O00512 1/20 0.34
▸ CTNNB1 P35222 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33

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
SCHEMBL18291847 0.87 CA14 (0.36) ALDH1A1FAAHGAACA14L3MBTL1
SCHEMBL18291923 0.86 MGLL (0.51) MGLLALDH1A1SMN1; SMN2FAAHTRPV1
SCHEMBL26616595 0.84 MGLL (0.66) MGLLFAAHTRPV1GAACA14
SCHEMBL12917703 0.84 MGLL (0.61) MGLLALDH1A1SMN1; SMN2FAAHTRPV1
SCHEMBL25919975 0.83 MGLL (0.48) MGLLALDH1A1SMN1; SMN2FAAHTRPV1
SCHEMBL18712547 0.81 MGLL (0.57) MGLLALDH1A1SMN1; SMN2FAAHTRPV1
SCHEMBL18291881 0.80 CA14 (0.41) SMN1; SMN2CA14L3MBTL1
SCHEMBL14708941 0.79 CA14 (0.45) CA14L3MBTL1
SCHEMBL16141285 0.79 CA14 (0.45) CA14L3MBTL1
SCHEMBL12917526 0.78 CA14 (0.39) SMN1; SMN2CA14L3MBTL1

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
WO-2016193371-A1 PRODRUGS COMPRISING AN GLP-1/GLUCAGON DUAL AGONIST LINKER HYALURONIC ACID CONJUGATE SANOFI (FR) 2016-12-08 — — WO disclosed
US-9133276-B2 Prodrugs comprising an exendin linker conjugate SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2015-09-15 — — US disclosed
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