SCHEMBL18291847

SCHEMBL18291847

CC(C)(C)OC(=O)N(CCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1)CCNC(=O)Oc1ccc(NO)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA14 Q9ULX7 1/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ FAAH O00519 6/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ CKS1B P61024 1/20 0.33
▸ SKP1 P63208 1/20 0.33
▸ SKP2 Q13309 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NFKB2 Q00653 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
SCHEMBL17080678 0.87 MGLL (0.46) CA14L3MBTL1FAAHGAAALDH1A1
SCHEMBL18291881 0.82 CA14 (0.41) CA14L3MBTL1CKS1BSKP1SKP2
SCHEMBL14708941 0.81 CA14 (0.45) CA14L3MBTL1CKS1BSKP1SKP2
SCHEMBL16141285 0.81 CA14 (0.45) CA14L3MBTL1CKS1BSKP1SKP2
SCHEMBL12917526 0.80 CA14 (0.39) CA14L3MBTL1CKS1BSKP1SKP2
SCHEMBL14709092 0.79 CA14 (0.38) CA14L3MBTL1CKS1BSKP1SKP2
SCHEMBL16330568 0.78 HDAC3 (0.40) CA14L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL45876 0.78 MEN1 (0.41) CA14L3MBTL1IDO1HDAC3HDAC1
SCHEMBL12917528 0.77 KIF11 (0.46) —
SCHEMBL20230560 0.76 KIF11 (0.39) NPC1GAARAB9ATAAR1

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
WO-2016193371-A1 PRODRUGS COMPRISING AN GLP-1/GLUCAGON DUAL AGONIST LINKER HYALURONIC ACID CONJUGATE SANOFI (FR) 2016-12-08 — — WO disclosed
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