SCHEMBL9069561

SCHEMBL9069561

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](CS)C(N)=O)C(C)CC

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAGI3 Q5TCQ9 1/20 0.62
▸ EDNRA P25101 1/20 0.59
▸ ACE P12821 2/20 0.55
▸ ECE1 P42892 12/20 0.55
▸ KMT2A Q03164 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CASP1 P29466 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ CASP4 P49662 1/20 0.49
▸ CASP5 P51878 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ CASP9 P55211 1/20 0.49
▸ CASP6 P55212 1/20 0.49
▸ CASP8 Q14790 1/20 0.49
▸ CASP10 Q92851 1/20 0.49

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
SCHEMBL9068986 1.00 MAGI3 (0.62) MAGI3EDNRAACEECE1KMT2A
SCHEMBL7396823 0.93 EDNRA (0.69) MAGI3EDNRAACECASP1CASP3
SCHEMBL7396826 0.93 EDNRA (0.69) MAGI3EDNRAACECASP1CASP3
SCHEMBL7446375 0.92 ACE (0.54) MAGI3EDNRAACEECE1KMT2A
SCHEMBL7394083 0.92 ACE (0.54) MAGI3EDNRAACEECE1KMT2A
SCHEMBL7394085 0.92 ACE (0.54) MAGI3EDNRAACEECE1KMT2A
SCHEMBL9069917 0.90 EDNRA (0.69) MAGI3EDNRAACEECE1KMT2A
SCHEMBL7398710 0.89 MAGI3 (0.60) MAGI3EDNRAECE1
SCHEMBL7398708 0.89 MAGI3 (0.60) MAGI3EDNRAECE1
SCHEMBL9069770 0.89 MAGI3 (0.68) MAGI3EDNRAACEECE1KMT2A

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
US-5504070-A ADMINISTERING OLIGOPEPTIDES, PHOSPHONATES AND MODIFIED AMINO ACIDS AS INHIBITORS BERLEX LABORATORIES, INC. (US) 1996-04-02 — — US disclosed
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