SCHEMBL7358090

SCHEMBL7358090

CC(C)CC(C(N)=O)C(=O)N(O)C(CCc1ccccc1)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 7/20 0.46
ERAP1 Q9NZ08 7/20 0.46
IL1RN P18510 3/20 0.46
LNPEP Q9UIQ6 5/20 0.41
MMP8 P22894 1/20 0.41
GPR88 Q9GZN0 1/20 0.40
TSHR P16473 1/20 0.40
ALOX5 P09917 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7355286 0.95 ERAP2 (0.46) ERAP2ERAP1IL1RNLNPEPGPR88
SCHEMBL7355894 0.88 ERAP2 (0.46) ERAP2ERAP1IL1RNLNPEPMMP8
SCHEMBL7346885 0.86 ERAP2 (0.46) ERAP2ERAP1IL1RNLNPEPTSHR
SCHEMBL7348490 0.78 ERAP2 (0.43) ERAP2ERAP1IL1RNLNPEPALOX5
SCHEMBL7361196 0.78 ALOX5 (0.50) ERAP2ERAP1IL1RNMMP8GPR88
SCHEMBL7357801 0.76 MMP8 (0.45) ERAP2ERAP1IL1RNMMP8ALOX5
SCHEMBL7359568 0.74 CSNK1E (0.43)
SCHEMBL341788 0.72 ANPEP (0.52) ERAP2ERAP1MMP8TSHRKMT2A
SCHEMBL9264377 0.70 ANPEP (0.50) ERAP2ERAP1MMP8TSHRKMT2A
SCHEMBL7348339 0.70 GPR88 (0.48) ERAP2ERAP1LNPEPGPR88

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