SCHEMBL5201216

SCHEMBL5201216

CCOC(=O)On1cc(C(=O)C(=O)N2CCOCC2)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(OC)cc21

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.51
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALOX5 P09917 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CHRM2 P08172 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 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
SCHEMBL5203602 0.93 MAPK14 (0.51) MAPK14CYP2C9CYP2C19L3MBTL1ALDH1A1
SCHEMBL5205465 0.92 MAPK14 (0.50) MAPK14CYP2C9CYP2C19L3MBTL1CHRM2
SCHEMBL5202103 0.92 MAPK14 (0.51) MAPK14CYP2C9CYP2C19L3MBTL1CHRM2
SCHEMBL5205621 0.89 MAPK14 (0.53) MAPK14CYP2C9CYP2C19ALOX5L3MBTL1
SCHEMBL5205422 0.89 MAPK14 (0.47) MAPK14CYP2C9CYP2C19L3MBTL1
SCHEMBL5203992 0.87 MAPK14 (0.56) MAPK14CYP2C9CYP2C19ALOX5ALDH1A1
SCHEMBL5204360 0.85 MAPK14 (0.50) MAPK14CYP2C9CYP2C19L3MBTL1ALDH1A1
SCHEMBL5205103 0.84 MAPK14 (0.46) MAPK14ALOX5ALDH1A1MAPT
SCHEMBL5204693 0.83 MAPK14 (0.52) MAPK14CYP2C9CYP2C19L3MBTL1
SCHEMBL5205224 0.82 MAPK14 (0.53) MAPK14CYP2C9CYP2C19L3MBTL1ALDH1A1

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
EP-1178983-B1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC (US) 2007-10-24 EP claimed