SCHEMBL8203089

SCHEMBL8203089

C=CC/C(C)=C/C(C)(C)CC(=O)Nc1ccccc1NC(=O)C(C)C(CC=C)NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.36
▸ CTSL P07711 3/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ AAK1 Q2M2I8 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ KLK5 Q9Y337 2/20 0.33
▸ HDAC8 Q9BY41 1/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA7 P43166 2/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 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
SCHEMBL13223285 0.72 REN (0.39) MAPTCTSLTP53AAK1KLK5
SCHEMBL20181256 0.70 AAK1 (0.43) MAPTCTSLSMN1; SMN2TP53AAK1
SCHEMBL10315020 0.69 HTT (0.43) MAPTHTTSMN1; SMN2TSHRCA1
SCHEMBL20181226 0.66 AAK1 (0.55) MAPTCTSLSMN1; SMN2TP53AAK1
SCHEMBL11193697 0.64 CA1 (0.49) MAPTSMN1; SMN2CA1CA2CA7
SCHEMBL26531724 0.64 CA1 (0.53) MAPTSMN1; SMN2CA1CA2CA7
SCHEMBL21442825 0.63 MAPT (0.47) MAPTCTSLSMN1; SMN2TP53AAK1
SCHEMBL20181112 0.63 MAPT (0.47) MAPTCTSLSMN1; SMN2TP53AAK1
SCHEMBL21442822 0.62 CTSS (0.43) MAPTCTSLTP53AAK1CTSS
SCHEMBL20181458 0.62 CTSS (0.43) MAPTCTSLTP53AAK1CTSS

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-2008033389-A2 MACROCYCLIC HCV INHIBITORS AND THEIR USES NOVARTIS AG (CH) 2008-03-20 — — WO disclosed
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