SCHEMBL7699562

SCHEMBL7699562

COC(=O)c1[nH]c(C(C)(C)C)c(C)c1NC(=O)Nc1ccc(OCCC2CCSC2=O)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 6/20 0.38
MAPK14 Q16539 10/20 0.36
MAPK12 P53778 6/20 0.36
MAPK13 O15264 3/20 0.36
MAPK11 Q15759 3/20 0.36
HCK P08631 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CIT O14578 1/20 0.36
MUSK O15146 1/20 0.36
MAP3K7 O43318 1/20 0.36
RIPK2 O43353 1/20 0.36
STK10 O94804 1/20 0.36
MAP4K4 O95819 1/20 0.36
CHEK2 O96017 1/20 0.36

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
SCHEMBL7691837 0.80 RAF1 (0.50) MAPK14MAPK12MAPK13MAPK11RAF1
SCHEMBL7700456 0.79 MAPK14 (0.52) TNFMAPK14MAPK12MAPK13MAPK11
SCHEMBL7839549 0.79 MAPK14 (0.43) TNFMAPK14MAPK12MAPK13MAPK11
SCHEMBL7841607 0.78 MAPK14 (0.61) TNFMAPK14MAPK12MAPK13MAPK11
SCHEMBL7845936 0.78 MAPK14 (0.44) TNFMAPK14MAPK12MAPK13MAPK11
SCHEMBL7696091 0.75 MAPK14 (0.45) TNFMAPK14MAPK12MAPK13MAPK11
SCHEMBL6243453 0.74 MAPK14 (0.67) TNFMAPK14MAPK12MAPK13MAPK11
SCHEMBL7840096 0.74 MAPK14 (0.38) TNFMAPK14MAPK12MAPK13MAPK11
SCHEMBL7854708 0.72 MAPK14 (0.46) TNFMAPK14MAPK12MAPK13MAPK11
SCHEMBL6162657 0.69 MAPK14 (0.56) TNFMAPK14MAPK12MAPK13MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002539206-A 2002-11-19 JP claimed
EP-1163236-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-12-19 EP claimed
WO-2000055152-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-21 WO claimed
EP-1163236-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-12-19 EP disclosed
WO-2000055152-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed