SCHEMBL7401386

SCHEMBL7401386

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(N)=O)C(=O)O)[C@@H](C)CC

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAGI3 Q5TCQ9 1/20 0.68
EDNRA P25101 1/20 0.67
ACE P12821 2/20 0.56
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
CASP1 P29466 1/20 0.55
CASP3 P42574 1/20 0.55
CASP4 P49662 1/20 0.55
CASP5 P51878 1/20 0.55
CASP7 P55210 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 9/20 0.52
ALOX15 P16050 1/20 0.52

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
SCHEMBL7401384 1.00 MAGI3 (0.68) MAGI3EDNRAACEKMT2AL3MBTL1
SCHEMBL7442648 0.94 EDNRA (0.69) MAGI3EDNRAACEKMT2AL3MBTL1
SCHEMBL7442640 0.94 EDNRA (0.69) MAGI3EDNRAACEKMT2AL3MBTL1
SCHEMBL7495581 0.94 MAGI3 (0.65) MAGI3EDNRAACEKMT2AL3MBTL1
SCHEMBL7495576 0.94 MAGI3 (0.65) MAGI3EDNRAACEKMT2AL3MBTL1
SCHEMBL7400884 0.93 EDNRA (0.76) MAGI3EDNRAACEKMT2AL3MBTL1
SCHEMBL7400886 0.93 EDNRA (0.76) MAGI3EDNRAACEKMT2AL3MBTL1
SCHEMBL7392686 0.92 MAGI3 (0.72) MAGI3EDNRAACEKMT2AL3MBTL1
SCHEMBL7392689 0.92 MAGI3 (0.72) MAGI3EDNRAACEKMT2AL3MBTL1
SCHEMBL9069771 0.91 MAGI3 (0.77) MAGI3EDNRAACEKMT2AL3MBTL1

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
US-5504070-A ADMINISTERING OLIGOPEPTIDES, PHOSPHONATES AND MODIFIED AMINO ACIDS AS INHIBITORS BERLEX LABORATORIES, INC. (US) 1996-04-02 US disclosed
WO-1993011154-A1 INHIBITORS OF THE CONVERSION OF BIG ENDOTHELIN TO ENDOTHELIN BERLEX LABORATORIES, INC. (US) 1993-06-10 WO disclosed