SCHEMBL7348722

SCHEMBL7348722

CCCCCCCCCCN(O)C(=O)C(CC(C)C)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.40
EPHX1 P07099 1/20 0.39
KDM5A P29375 5/20 0.34
PHF8 Q9UPP1 3/20 0.34
KDM4C Q9H3R0 3/20 0.34
PLA2G2A P14555 2/20 0.33
PLA2G5 P39877 2/20 0.33
PLA2G10 O15496 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CES2 O00748 1/20 0.33
KDM5C P41229 1/20 0.32
KDM5B Q9UGL1 1/20 0.32

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 0.78 MMP8 (0.45) MMP8KDM5APHF8KDM4C
SCHEMBL7349299 0.78 MMP8 (0.38) MMP8EPHX1PLA2G10CA1CA2
SCHEMBL7349646 0.75 CSNK1E (0.44) EPHX1
SCHEMBL7357535 0.75 CSNK1E (0.44) EPHX1
SCHEMBL6894680 0.72 KDM5A (0.43) KDM5APHF8KDM4CCES2KDM5C
SCHEMBL23142575 0.70 CA1 (0.40) MMP8EPHX1CA1CA2
SCHEMBL9074168 0.70 SPHK1 (0.39) KDM5APHF8KDM4CCES2
SCHEMBL7825058 0.69 KDM5A (0.42) KDM5APHF8KDM4CCES2KDM5C
SCHEMBL8766997 0.69 GPR84 (0.39) EPHX1PLA2G2ACA1CA2
SCHEMBL5495278 0.69 KDM5A (0.36) KDM5APHF8KDM4CCA1CES2

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 4 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
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed