SCHEMBL5014193

SCHEMBL5014193

CC(C)(C)OC(=O)NC(CCCCc1nc(C(=O)O)co1)NC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.37
C3AR1 Q16581 2/20 0.35
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
CTSS P25774 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
SCHEMBL5014191 0.74 MAPT (0.52) CTSKC3AR1MAPTATMNPSR1
SCHEMBL9303530 0.73 ATM (0.39) CTSKC3AR1MAPTATMITGB3
SCHEMBL18764998 0.73 HTT (0.50) MAPTNPSR1
SCHEMBL5015698 0.72 FPR2 (0.40) CTSKMAPT
SCHEMBL1706448 0.71 CES1 (0.39)
SCHEMBL3586130 0.70 KDM4A (0.40) NPSR1
SCHEMBL3400916 0.69 CTSK (0.55) CTSKCTSS
SCHEMBL5014055 0.69 CTSK (0.43) CTSKMAPTATMNPSR1CTSS
SCHEMBL5013649 0.68 PCSK9 (0.47) CTSKC3AR1ATMNPSR1CTSS
SCHEMBL800492 0.67 KMT2A (0.49) C3AR1MAPTATM

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-2008009942-A1 HETEROAROMATIC-BASED PEPTIDE MACROCYCLES AS G-QUADRUPLEX LIGANDS CAMBRIDGE ENTERPRISE LTD. (GB) 2008-01-24 WO disclosed