SCHEMBL6825565

SCHEMBL6825565

CCCCN(CC(=O)NO)C(=O)[C@@H](NC(=O)Nc1cccc(Cl)c1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.47
EPHX2 P34913 5/20 0.45
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
MAPK1 P28482 1/20 0.42
CCKBR P32239 3/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6923321 0.89 MAPK1 (0.47) EPHX1MMP1MMP2MMP9MMP8
SCHEMBL6825972 0.87 CCKBR (0.48) EPHX1EPHX2MAPK1CCKBRMEN1
SCHEMBL6825971 0.87 CCKBR (0.48) EPHX1EPHX2MAPK1CCKBRMEN1
SCHEMBL6825246 0.85 EPHX2 (0.47) EPHX1EPHX2MMP1MMP2MMP9
SCHEMBL6825501 0.83 EPHX2 (0.48) EPHX1EPHX2MMP1MMP2MMP9
SCHEMBL6827769 0.82 EPHX2 (0.49) EPHX1EPHX2MMP1MMP2MMP9
SCHEMBL6825574 0.79 EPHX1 (0.51) EPHX1EPHX2MMP1MMP2MMP9
SCHEMBL6822072 0.78 MEN1 (0.44) MMP1MEN1MAPTKMT2A
SCHEMBL6825284 0.76 CA2 (0.43) EPHX1EPHX2MMP1MMP2MMP9
SCHEMBL6825880 0.76 CCKBR (0.49) MMP1MAPK1CCKBRMEN1ALDH1A1

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
WO-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO claimed
WO-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO disclosed