SCHEMBL7361196

SCHEMBL7361196

CC(C)CC(C(N)=O)C(=O)N(O)CCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.50
MMP8 P22894 1/20 0.47
AOC3 Q16853 1/20 0.42
IL1RN P18510 2/20 0.42
ERAP2 Q6P179 2/20 0.42
ERAP1 Q9NZ08 2/20 0.42
HPGD P15428 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
GPR88 Q9GZN0 1/20 0.40

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
SCHEMBL7357801 0.95 MMP8 (0.45) ALOX5MMP8IL1RNERAP2ERAP1
SCHEMBL7357356 0.85 ALOX5 (0.54) ALOX5MMP8AOC3
SCHEMBL7358167 0.80 KDM4A (0.42) ALOX5MMP8HPGD
SCHEMBL7358090 0.78 ERAP2 (0.46) ALOX5MMP8IL1RNERAP2ERAP1
SCHEMBL7348722 0.75 MMP8 (0.40) MMP8
SCHEMBL7355894 0.74 ERAP2 (0.46) ALOX5MMP8IL1RNERAP2ERAP1
SCHEMBL7348339 0.74 GPR88 (0.48) ERAP2ERAP1GPR88
SCHEMBL7349646 0.74 CSNK1E (0.44)
SCHEMBL7357535 0.74 CSNK1E (0.44)
SCHEMBL28124005 0.73 ALOX5 (0.56) ALOX5SIGMAR1

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-1009736-A1 MALONIC ACID BASED MATRIX METALLOPROTEINASE INHIBITORS Roche Diagnostics GmbH (DE) 2000-06-21 EP disclosed
WO-1999011608-A1 MALONIC ACID BASED MATRIX METALLOPROTEINASE INHIBITORS ROCHE DIAGNOSTICS GMBH (DE) 1999-03-11 WO disclosed