SCHEMBL6163708

SCHEMBL6163708

COC(=O)c1cc(C(C)(C)C)sc1NC(=O)Nc1ccc(OCCc2ccc(OC)c(OC)c2)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
MAPK14 Q16539 16/20 0.45
HCK P08631 6/20 0.45
MAPK12 P53778 10/20 0.43
TNF P01375 1/20 0.43
MAPK13 O15264 3/20 0.41
MAPK11 Q15759 3/20 0.41
RAF1 P04049 1/20 0.39

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
SCHEMBL6164402 0.88 RAF1 (0.54) MAPK14MAPK12MAPK13MAPK11RAF1
SCHEMBL6162064 0.83 MAPK14 (0.52) GAAMAPK14HCKMAPK12TNF
SCHEMBL6162950 0.81 MAPK14 (0.46) MAPK14HCKMAPK12TNFMAPK13
SCHEMBL6165244 0.81 MAPK14 (0.50) GAAMAPK14HCKMAPK12TNF
SCHEMBL6161510 0.80 MAPK14 (0.46) MAPK14HCKMAPK12TNFMAPK13
SCHEMBL6165596 0.80 MAPK14 (0.64) MAPK14HCKMAPK12TNFMAPK13
SCHEMBL6164164 0.80 MAPK14 (0.58) GAAMAPK14HCKMAPK12TNF
SCHEMBL6161599 0.79 MAPK14 (0.58) GAAMAPK14HCKMAPK12TNF
SCHEMBL6165808 0.79 MAPK14 (0.50) MAPK14HCKMAPK12TNFMAPK13
SCHEMBL7839549 0.79 MAPK14 (0.43) MAPK14HCKMAPK12TNFMAPK13

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-1163236-B1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2005-11-09 EP disclosed
US-6476023-B1 Aromatic heterocyclic compounds as anti-inflammatory agents BOEHRINGEN INGELHEIM PHARMACEUTICALS, INC. 2002-11-05 US disclosed
US-6297381-B1 INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES SUCH AS INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR, UREAS OR THIOUREAS SUBSTITUTED BY A PYRROLE OR THIOPHENE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-10-02 US disclosed