SCHEMBL13309019

SCHEMBL13309019

CC(C)C(NC(=O)OC(C)(C)C)c1oc2cc(C#N)ccc2c(=O)c1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.39
CTSK P43235 4/20 0.39
CTSB P07858 2/20 0.39
CTSL P07711 1/20 0.39
PPARA Q07869 2/20 0.39
MAP1LC3B Q9GZQ8 1/20 0.39
MAP1LC3A Q9H492 1/20 0.39
KIF11 P52732 1/20 0.38
KCNH2 Q12809 1/20 0.38
APP P05067 1/20 0.38
PPARG P37231 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
PTGES O14684 1/20 0.38
KDM4E B2RXH2 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL15434858 1.00 CTSS (0.39) CTSSCTSKCTSBCTSLPPARA
SCHEMBL10192145 0.88 KIF11 (0.41) CTSSCTSKCTSBCTSLMAP1LC3B
SCHEMBL13309372 0.88 KIF11 (0.41) CTSSCTSKCTSBCTSLMAP1LC3B
SCHEMBL11920178 0.88 KIF11 (0.45) PPARAMAP1LC3BMAP1LC3AKIF11KCNH2
SCHEMBL10192147 0.87 KIF11 (0.50) CTSLPPARAMAP1LC3BMAP1LC3AKIF11
SCHEMBL13309006 0.87 KIF11 (0.50) CTSLPPARAMAP1LC3BMAP1LC3AKIF11
SCHEMBL10192157 0.87 PPARG (0.47) CTSSCTSKPPARAMAP1LC3BMAP1LC3A
SCHEMBL10192174 0.86 CYP19A1 (0.45) PPARAPPARGLMNAPTGESKDM4E
SCHEMBL10192158 0.85 PPARA (0.39) PPARAMAP1LC3BMAP1LC3AKIF11KCNH2
SCHEMBL3269903 0.78 KIF11 (0.45) KIF11KCNH2KDM4ENPSR1GLA

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
EP-1511734-B1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2010-06-23 EP disclosed