Sugi Predict

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SCHEMBL9755834

SCHEMBL9755834

N#CCC(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 7/20 1.00
▸ ACE P12821 3/20 0.52
▸ CPA1 P15085 2/20 0.52
▸ ACE2 Q9BYF1 2/20 0.52
▸ MMP2 P08253 1/20 0.52
▸ MMP7 P09237 1/20 0.52
▸ MMP9 P14780 1/20 0.52
▸ MMP12 P39900 1/20 0.52
▸ MMP13 P45452 1/20 0.52
▸ MMP1 P03956 1/20 0.51
▸ FCER2 P06734 1/20 0.51

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
SCHEMBL9755824 0.89 MME (0.80) MMEMMP2MMP7MMP9MMP12
SCHEMBL9755813 0.88 MME (0.78) MMEMMP1FCER2
SCHEMBL9755802 0.86 MME (0.76) MMEACE
SCHEMBL9755800 0.83 MME (0.71) MMECPA1
SCHEMBL9755796 0.83 MME (0.71) MMECPA1
SCHEMBL9755830 0.82 BIRC2 (0.70) MME
SCHEMBL9755828 0.81 MME (0.67) MMEACE
SCHEMBL9755807 0.81 MME (0.67) MMEACE
SCHEMBL9755809 0.81 MME (0.67) MMEACE
SCHEMBL365234 0.79 MME (0.65) MMEACECPA1ACE2

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-1991005763-A1 DIPEPTIDE-ANALOG-BASED METALLOENDOPEPTIDASE INHIBITORS AND METHODS OF USING SAME THE SALK INSTITUTE BIOTECHNOLOGY/INDUSTRIAL ASSOCIATES, INC. (US) 1991-05-02 — — WO disclosed