SCHEMBL7397607

SCHEMBL7397607

CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)NC(C)C)[C@@H](C)CC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.72
MAGI3 Q5TCQ9 1/20 0.60
MMP8 P22894 5/20 0.54
MMP1 P03956 5/20 0.54
MMP9 P14780 4/20 0.54
MMP2 P08253 3/20 0.54
CASP1 P29466 2/20 0.52
CASP3 P42574 2/20 0.52
CASP7 P55210 2/20 0.52
CASP4 P49662 1/20 0.52
CASP5 P51878 1/20 0.52
CASP9 P55211 1/20 0.52
CASP6 P55212 1/20 0.52
CASP8 Q14790 1/20 0.52
CASP10 Q92851 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ACE P12821 2/20 0.52
CCKAR P32238 2/20 0.50
CCKBR P32239 2/20 0.50

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
SCHEMBL7400884 0.94 EDNRA (0.76) EDNRAMAGI3MMP8MMP1MMP9
SCHEMBL7400886 0.94 EDNRA (0.76) EDNRAMAGI3MMP8MMP1MMP9
SCHEMBL30533185 0.93 EDNRA (0.82) EDNRAMAGI3MMP8MMP1MMP9
SCHEMBL9069917 0.92 EDNRA (0.69) EDNRAMAGI3MMP8MMP1MMP9
SCHEMBL7395344 0.92 EDNRA (0.81) EDNRAMAGI3KMT2AL3MBTL1ACE
SCHEMBL7395342 0.92 EDNRA (0.81) EDNRAMAGI3KMT2AL3MBTL1ACE
SCHEMBL7397165 0.91 EDNRA (0.73) EDNRAMAGI3MMP8MMP1MMP9
SCHEMBL7401959 0.90 EDNRA (0.67) EDNRAMAGI3MMP8MMP1MMP9
SCHEMBL30533187 0.90 EDNRA (0.78) EDNRAMAGI3CASP1CASP3CASP7
SCHEMBL7398428 0.89 EDNRA (0.66) EDNRAMAGI3MMP8MMP1MMP9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993011154-A1 INHIBITORS OF THE CONVERSION OF BIG ENDOTHELIN TO ENDOTHELIN BERLEX LABORATORIES, INC. (US) 1993-06-10 WO disclosed