SCHEMBL7358167

SCHEMBL7358167

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 3/20 0.42
KDM4C Q9H3R0 3/20 0.42
KDM5A P29375 1/20 0.42
PHF8 Q9UPP1 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42
ALOX5 P09917 9/20 0.40
MMP8 P22894 1/20 0.36
HDAC1 Q13547 1/20 0.35
HPGD P15428 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
SCHEMBL7357801 0.82 MMP8 (0.45) KDM4AKDM4CKDM5APHF8KDM2A
SCHEMBL7361196 0.80 ALOX5 (0.50) ALOX5MMP8HPGD
SCHEMBL3842681 0.71 TAAR1 (0.48) ALOX5
SCHEMBL7358090 0.68 ERAP2 (0.46) ALOX5MMP8
SCHEMBL7348722 0.68 MMP8 (0.40) KDM4CKDM5APHF8MMP8
SCHEMBL7357356 0.67 ALOX5 (0.54) KDM4AKDM4CKDM5APHF8KDM2A
SCHEMBL7349646 0.67 CSNK1E (0.44)
SCHEMBL7357535 0.67 CSNK1E (0.44)
SCHEMBL7373357 0.66 MMP2 (0.57) MMP8
SCHEMBL7356063 0.64 ALOX5 (0.49) KDM4AKDM4CKDM5APHF8KDM2A

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