SCHEMBL6256476

SCHEMBL6256476

COc1ccc(-c2nc(C(N)=O)oc2-c2ccc(OC(CNC(=O)O)C(C)(C)C)cc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.42
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
RCE1 Q9Y256 1/20 0.36
GABRA1 P14867 1/20 0.34
HDAC6 Q9UBN7 2/20 0.34
PIK3CA P42336 3/20 0.34
TAAR1 Q96RJ0 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NNMT P40261 1/20 0.33
DGAT1 O75907 1/20 0.33
MTOR P42345 1/20 0.33
HDAC3 O15379 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL6272841 0.82 PPARD (0.43) PPARDPPARGPPARAMKNK1MKNK2
SCHEMBL6228805 0.80 MKNK1 (0.50) PPARDMKNK1MKNK2RCE1HDAC6
SCHEMBL6539809 0.77 CA12 (0.46) PPARDMKNK1MKNK2RCE1
SCHEMBL6539675 0.77 MEN1 (0.51) PPARDMKNK1MKNK2KDM4EALDH1A1
SCHEMBL6208237 0.76 MKNK1 (0.50) PPARDMKNK1MKNK2RCE1GABRA1
SCHEMBL6256472 0.76 PPARD (0.41) PPARDPPARGPPARAMKNK1MKNK2
SCHEMBL6540217 0.73 NR4A2 (0.51) PPARDMKNK1MKNK2RCE1HDAC6
SCHEMBL6539080 0.69 IKBKB (0.51) PPARDKDM4EALDH1A1
SCHEMBL6235990 0.69 PPARD (0.43) PPARDMKNK1MKNK2RCE1HDAC6
SCHEMBL6539905 0.69 RCE1 (0.46) PPARDMKNK1MKNK2RCE1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583749-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE Astellas Pharma Inc. (JP) 2005-10-12 EP disclosed
WO-2004065374-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE ASTELLAS PHARMA INC. (JP) 2004-08-05 WO disclosed