SCHEMBL4563340

SCHEMBL4563340

Cc1cc(C(C)(C)C)oc1C(=O)C(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.80
MAPK13 O15264 4/20 0.56
MAPK12 P53778 4/20 0.56
MAPK11 Q15759 4/20 0.56
TNF P01375 4/20 0.56
CIT O14578 1/20 0.56
MUSK O15146 1/20 0.56
MAP3K7 O43318 1/20 0.56
RIPK2 O43353 1/20 0.56
STK10 O94804 1/20 0.56
MAP4K4 O95819 1/20 0.56
CHEK2 O96017 1/20 0.56
ABL1 P00519 1/20 0.56
EGFR P00533 1/20 0.56
RAF1 P04049 1/20 0.56
NTRK1 P04629 1/20 0.56
HSPB1 P04792 1/20 0.56
PRKCB P05771 1/20 0.56
LCK P06239 1/20 0.56
FYN P06241 1/20 0.56

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
SCHEMBL1600485 0.89 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL6167223 0.83 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL1600552 0.83 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL1599846 0.80 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL1599504 0.80 MAPK14 (0.82) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL5255198 0.79 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL1599825 0.78 DDR2 (0.72) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL13234437 0.78 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL1599371 0.78 MAPK14 (0.80) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL30449051 0.78 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11TNF

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006091862-A2 CYTOKINE INHIBITORS AND THEIR USE IN THERAPY KEMIA, INC. (US) 2006-08-31 WO claimed
EP-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2006091862-A2 CYTOKINE INHIBITORS AND THEIR USE IN THERAPY KEMIA, INC. (US) 2006-08-31 WO disclosed