SCHEMBL7400063

SCHEMBL7400063

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

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAGI3 Q5TCQ9 1/20 0.59
▸ EDNRA P25101 1/20 0.58
▸ ACE P12821 2/20 0.50
▸ MMP1 P03956 2/20 0.49
▸ SIRT5 Q9NXA8 1/20 0.48
▸ IL23R Q5VWK5 1/20 0.48
▸ ECE1 P42892 6/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MMP8 P22894 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ BCL2A1 Q16548 2/20 0.46
▸ BID P55957 1/20 0.46

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
SCHEMBL7400060 1.00 MAGI3 (0.59) MAGI3EDNRAACEMMP1SIRT5
SCHEMBL7398427 0.94 EDNRA (0.66) MAGI3EDNRAACEMMP1SIRT5
SCHEMBL7398428 0.94 EDNRA (0.66) MAGI3EDNRAACEMMP1SIRT5
SCHEMBL7400066 0.93 MAGI3 (0.66) MAGI3EDNRAMMP1SIRT5IL23R
SCHEMBL7400067 0.93 MAGI3 (0.66) MAGI3EDNRAMMP1SIRT5IL23R
SCHEMBL7400146 0.92 MAGI3 (0.53) MAGI3EDNRAACEMMP1SIRT5
SCHEMBL7400150 0.92 MAGI3 (0.53) MAGI3EDNRAACEMMP1SIRT5
SCHEMBL30208645 0.90 EDNRA (0.64) MAGI3EDNRAACEECE1KMT2A
SCHEMBL7495581 0.86 MAGI3 (0.65) MAGI3EDNRAACEIL23RECE1
SCHEMBL7495576 0.86 MAGI3 (0.65) MAGI3EDNRAACEIL23RECE1

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 3 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 claimed
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
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