SCHEMBL12917526

SCHEMBL12917526

CC(C)(C)OC(=O)N(CCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1)CCNC(=O)NCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA14 Q9ULX7 1/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.37
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ KIF11 P52732 8/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CKS1B P61024 1/20 0.32
▸ SKP1 P63208 1/20 0.32
▸ SKP2 Q13309 1/20 0.32
▸ LPAR1 Q92633 1/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.32
▸ CCR6 P51684 1/20 0.31
▸ PAX8 Q06710 1/20 0.31

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
SCHEMBL18291881 0.90 CA14 (0.41) CA14L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL45876 0.86 MEN1 (0.41) CA14L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL16141285 0.85 CA14 (0.45) CA14L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL14708941 0.85 CA14 (0.45) CA14L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL14709092 0.83 CA14 (0.38) CA14L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL16330568 0.82 HDAC3 (0.40) CA14L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL12917528 0.81 KIF11 (0.46) KIF11
SCHEMBL18291847 0.80 CA14 (0.36) CA14L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL17493273 0.79 CA14 (0.41) CA14L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL17080678 0.78 MGLL (0.46) CA14L3MBTL1SMN1; SMN2

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-2011012723-A1 INJECTABLE SUSTAINED RELEASE COMPOSITIONS COMPRISING A PRAMIPEXOLE PRODRUG ASCENDIS PHARMA AS (DK) 2011-02-03 — — WO disclosed
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