SCHEMBL7400067

SCHEMBL7400067

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAGI3 Q5TCQ9 1/20 0.66
EDNRA P25101 1/20 0.59
SIRT5 Q9NXA8 1/20 0.52
MMP1 P03956 2/20 0.51
CASP1 P29466 2/20 0.51
CASP3 P42574 2/20 0.51
CASP7 P55210 2/20 0.51
CASP4 P49662 1/20 0.51
CASP5 P51878 1/20 0.51
CASP9 P55211 1/20 0.51
CASP6 P55212 1/20 0.51
CASP8 Q14790 1/20 0.51
CASP10 Q92851 1/20 0.51
RXFP1 Q9HBX9 1/20 0.50
ERAP2 Q6P179 1/20 0.48
MMP2 P08253 1/20 0.48
MMP8 P22894 1/20 0.48
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL7400066 1.00 MAGI3 (0.66) MAGI3EDNRASIRT5MMP1CASP1
SCHEMBL7398427 0.94 EDNRA (0.66) MAGI3EDNRASIRT5MMP1CASP1
SCHEMBL7398428 0.94 EDNRA (0.66) MAGI3EDNRASIRT5MMP1CASP1
SCHEMBL7400063 0.93 MAGI3 (0.59) MAGI3EDNRASIRT5MMP1MMP2
SCHEMBL7400060 0.93 MAGI3 (0.59) MAGI3EDNRASIRT5MMP1MMP2
SCHEMBL9069988 0.91 MAGI3 (0.69) MAGI3EDNRAMMP1CASP1CASP3
SCHEMBL7392686 0.89 MAGI3 (0.72) MAGI3EDNRACASP1CASP3CASP7
SCHEMBL7392689 0.89 MAGI3 (0.72) MAGI3EDNRACASP1CASP3CASP7
SCHEMBL9069770 0.88 MAGI3 (0.68) MAGI3EDNRAMMP1CASP1CASP3
SCHEMBL7394463 0.88 MAGI3 (0.64) MAGI3EDNRAMMP1CASP1CASP3

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