SCHEMBL7419681

SCHEMBL7419681

COc1ccc(CCN(CCc2ccc(OC)cc2)C(=O)C(NC(=O)OC(C)(C)C)C(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
CACNA1B Q00975 2/20 0.43
ALDH1A1 P00352 2/20 0.41
AOC3 Q16853 3/20 0.40
ANPEP P15144 1/20 0.40
ERAP2 Q6P179 1/20 0.40
F2RL1 P55085 1/20 0.39
ALOX5 P09917 2/20 0.39
CTSK P43235 1/20 0.39
LMNA P02545 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38

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
SCHEMBL7417898 0.82 CTSK (0.47) PPARGPPARACTSK
SCHEMBL1134521 0.78 PPARG (0.52) PPARGPPARACACNA1BALDH1A1CTSK
SCHEMBL7395706 0.76 ALOX5 (0.45) ALDH1A1ALOX5LPAR1LPAR5
SCHEMBL7412179 0.76 ALOX5 (0.45) ALDH1A1ALOX5LPAR1LPAR5
SCHEMBL7098744 0.75 SMN1; SMN2 (0.55) PPARGPPARAALDH1A1
SCHEMBL20415859 0.75 PPARG (0.56) PPARGPPARACACNA1BALDH1A1CTSK
SCHEMBL28561280 0.75 PPARG (0.56) PPARGPPARACACNA1BALDH1A1CTSK
SCHEMBL7414006 0.74 BACE1 (0.40) PPARGPPARAALDH1A1CTSK
SCHEMBL20677573 0.74 ALDH1A1 (0.46) PPARGPPARACACNA1BALDH1A1AOC3
SCHEMBL16453247 0.74 ALDH1A1 (0.46) PPARGPPARACACNA1BALDH1A1AOC3

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-1140818-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE Aventis Pharmaceuticals Inc. (US) 2001-10-10 EP disclosed
WO-2000040552-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMACEUTICALS INC. (US) 2000-07-13 WO disclosed