SCHEMBL7400884

SCHEMBL7400884

CCC(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)O)C(C)CC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 1/20 0.76
▸ MAGI3 Q5TCQ9 1/20 0.63
▸ ACE P12821 2/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ MMP2 P08253 2/20 0.55
▸ MMP9 P14780 1/20 0.55
▸ MMP8 P22894 1/20 0.55
▸ MMP1 P03956 1/20 0.55
▸ CASP1 P29466 2/20 0.55
▸ CASP3 P42574 2/20 0.55
▸ CASP7 P55210 2/20 0.55
▸ CASP4 P49662 1/20 0.55
▸ CASP5 P51878 1/20 0.55
▸ CASP9 P55211 1/20 0.55
▸ CASP6 P55212 1/20 0.55
▸ CASP8 Q14790 1/20 0.55
▸ CASP10 Q92851 1/20 0.55
▸ ECE1 P42892 8/20 0.54
▸ ALOX15 P16050 1/20 0.53

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
SCHEMBL7400886 1.00 EDNRA (0.76) EDNRAMAGI3ACEKMT2AL3MBTL1
SCHEMBL30533185 0.95 EDNRA (0.82) EDNRAMAGI3ACEKMT2AL3MBTL1
SCHEMBL7395342 0.94 EDNRA (0.81) EDNRAMAGI3ACEKMT2AL3MBTL1
SCHEMBL7395344 0.94 EDNRA (0.81) EDNRAMAGI3ACEKMT2AL3MBTL1
SCHEMBL7397607 0.94 EDNRA (0.72) EDNRAMAGI3ACEKMT2AL3MBTL1
SCHEMBL7401386 0.93 MAGI3 (0.68) EDNRAMAGI3ACEKMT2AL3MBTL1
SCHEMBL9069917 0.93 EDNRA (0.69) EDNRAMAGI3ACEKMT2AL3MBTL1
SCHEMBL7401384 0.93 MAGI3 (0.68) EDNRAMAGI3ACEKMT2AL3MBTL1
SCHEMBL7442640 0.93 EDNRA (0.69) EDNRAMAGI3ACEKMT2AL3MBTL1
SCHEMBL7442648 0.93 EDNRA (0.69) EDNRAMAGI3ACEKMT2AL3MBTL1

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
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