SCHEMBL4409347

SCHEMBL4409347

COc1c(NC(=O)C(=O)c2ccc(OCCN3CCOCC3)c3ccccc23)cc(C(C)(C)C)cc1NS(=O)(=O)CCC(N)=O

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCARB1 Q8WTV0 12/20 0.86
MAPK14 Q16539 8/20 0.81

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
SCHEMBL1600149 0.93 SCARB1 (1.00) SCARB1MAPK14
SCHEMBL1600079 0.92 SCARB1 (0.91) SCARB1MAPK14
Itx-5061 Free Base SCHEMBL29437772 0.90 SCARB1 (1.00) SCARB1MAPK14
Itx-5061 Free Base SCHEMBL1598868 0.90 SCARB1 (1.00) SCARB1MAPK14
SCHEMBL1600446 0.89 SCARB1 (0.83) SCARB1MAPK14
SCHEMBL1598950 0.89 SCARB1 (0.86) SCARB1MAPK14
SCHEMBL1599677 0.89 SCARB1 (0.96) SCARB1MAPK14
Itx-5061 Free Base SCHEMBL29437767 0.89 SCARB1 (0.99) SCARB1MAPK14
SCHEMBL1599872 0.88 SCARB1 (0.85) SCARB1MAPK14
SCHEMBL1600865 0.87 MAPK14 (0.83) SCARB1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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