SCHEMBL4859019

SCHEMBL4859019

CCc1cccc(CC)c1-c1cc(OC(C)C)c(COc2c(C)ccc(C(N)=O)c2CC)c(C)n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 7/20 0.36
C5AR1 P21730 2/20 0.36
PARP10 Q53GL7 3/20 0.34
PARP15 Q460N3 2/20 0.34
MKNK1 Q9BUB5 2/20 0.34
MKNK2 Q9HBH9 2/20 0.34
PARP14 Q460N5 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
SYK P43405 1/20 0.32
S1PR1 P21453 2/20 0.32
GPR52 Q9Y2T5 1/20 0.32
FFAR4 Q5NUL3 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
SCHEMBL1327343 0.85 PARP10 (0.41) IRAK4C5AR1PARP10PARP15MKNK1
SCHEMBL1327355 0.85 AKR1C3 (0.40) IRAK4C5AR1PARP10PARP15MKNK1
SCHEMBL1327776 0.85 C5AR1 (0.38) C5AR1FFAR4
SCHEMBL1328648 0.82 C5AR1 (0.38) C5AR1FFAR4
SCHEMBL1330117 0.81 C5AR1 (0.41) C5AR1
SCHEMBL1329563 0.81 C5AR1 (0.37) C5AR1S1PR1
SCHEMBL2142265 0.80 C5AR1 (0.41) C5AR1S1PR1FFAR4
SCHEMBL1328339 0.80 C5AR1 (0.35) C5AR1S1PR1FFAR4
SCHEMBL1329407 0.80 C5AR1 (0.38) C5AR1
SCHEMBL1328473 0.80 C5AR1 (0.38) C5AR1S1PR1

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
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US disclosed