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SCHEMBL20979759

SCHEMBL20979759

C#C[C@@H](OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](Cc1ccccc1)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)NC)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.35
▸ CTSK P43235 3/20 0.34
▸ MME P08473 2/20 0.34
▸ CTSL P07711 2/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ BIRC2 Q13490 1/20 0.33
▸ ANPEP P15144 1/20 0.33

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
SCHEMBL23323457 0.92 MMP2 (0.38) CAPN1CTSKMMECTSLCTSB
SCHEMBL20979822 0.91 MMP2 (0.39) CAPN1CTSKMMECTSLCTSB
SCHEMBL20979862 0.89 MMP2 (0.38) CAPN1CTSKMMECTSLCTSB
SCHEMBL20979796 0.83 CTSB (0.38) CTSKMMECTSLCTSBCTSS
SCHEMBL26542735 0.82 CTSK (0.35) CAPN1CTSKMMECTSLMMP2
SCHEMBL23323960 0.79 CTSL (0.40) CTSKCTSLCTSBCTSS
SCHEMBL26543946 0.79 CTSK (0.44) CAPN1CTSKCTSLCTSBCTSS
SCHEMBL26362964 0.78 MAPT (0.32) CAPN1MMP2MMP9
SCHEMBL20979753 0.78 MME (0.50) CAPN1MMEBIRC2
SCHEMBL21447892 0.77 PPARG (0.34) CTSKCTSLCTSS

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
EP-3480195-A1 METHOD FOR THE SYNTHESIS OF CYCLIC DEPSIPEPTIDES Bayer Animal Health GmbH (DE) 2019-05-08 — — EP disclosed