SCHEMBL16647698

SCHEMBL16647698

CC(C)(C)OC(=O)NCCNCCCCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.46
▸ MAOA P21397 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MALT1 Q9UDY8 1/20 0.41
▸ DRD2 P14416 3/20 0.41
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ BCHE P06276 1/20 0.40
▸ SUCNR1 Q9BXA5 1/20 0.40
▸ KIF11 P52732 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TLR2 O60603 1/20 0.39
▸ TLR1 Q15399 1/20 0.39

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
SCHEMBL29032286 0.90 IDO1 (0.50) IDO1NPSR1MALT1DRD2BCHE
SCHEMBL29455260 0.89 CYP3A4 (0.47) IDO1MAOAMAOBTDP1NPSR1
SCHEMBL16647700 0.87 CYP3A4 (0.48) IDO1TDP1NPSR1MALT1DRD2
SCHEMBL19265866 0.85 IDO1 (0.54) IDO1MALT1BCHEKIF11MEN1
SCHEMBL17502351 0.81 KIF11 (0.41) DRD2BCHEKIF11MEN1KMT2A
SCHEMBL98808 0.79 KIF11 (0.53) MAOAKIF11
SCHEMBL3122769 0.78 MALT1 (0.44) IDO1MAOAMAOBTDP1NPSR1
SCHEMBL26387246 0.78 SIGMAR1 (0.56) IDO1MAOAMAOBNPSR1
SCHEMBL3121407 0.77 MALT1 (0.48) IDO1MAOAMAOBTDP1MALT1
SCHEMBL9091074 0.77 KIF11 (0.57) KIF11

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-2015052155-A1 PROTECTING GROUP COMPRISING A PURIFICATION TAG ASCENDIS PHARMA A/S (DK) 2015-04-16 — — WO disclosed
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