SCHEMBL8360320

SCHEMBL8360320

CC(C)Nc1ncc(-c2cc(NC(=O)OC(C)(C)C)cc(OC(=O)NCc3ccccc3)c2)n(CC(=O)O)c1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F7 P08709 10/20 0.45
SCD O00767 1/20 0.36
F2 P00734 2/20 0.36
F3 P13726 2/20 0.36
AURKA O14965 2/20 0.35
RPS6KB1 P23443 2/20 0.35
HDAC1 Q13547 1/20 0.35
CCKBR P32239 1/20 0.35
EPHX1 P07099 2/20 0.35
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL8360889 0.88 F7 (0.39) F7SCDAURKARPS6KB1
SCHEMBL8363696 0.87 F7 (0.38) F7AURKARPS6KB1
SCHEMBL8360318 0.87 F7 (0.38) F7AURKARPS6KB1
SCHEMBL6792414 0.86 F7 (0.41) F7SCDAURKARPS6KB1HDAC1
SCHEMBL6791082 0.84 F2 (0.40) F7SCDF2F3AURKA
SCHEMBL8362513 0.84 F7 (0.37) F7
SCHEMBL8362598 0.83 F7 (0.41) F7SCDAURKARPS6KB1
SCHEMBL6798243 0.82 F7 (0.40) F7SCDF2F3AURKA
SCHEMBL6798252 0.82 F7 (0.40) F7SCDF2F3AURKA
SCHEMBL6791806 0.82 F7 (0.40) F7

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-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 WO disclosed