SCHEMBL20979822

SCHEMBL20979822

CN[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MME P08473 2/20 0.39
BIRC2 Q13490 1/20 0.39
LTA4H P09960 2/20 0.38
ACE P12821 1/20 0.38
CAPN1 P07384 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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 0.98 MMP2 (0.38) MMP2MMP9MMEBIRC2LTA4H
SCHEMBL20979862 0.94 MMP2 (0.38) MMP2MMP9MMELTA4HACE
SCHEMBL20979759 0.91 CAPN1 (0.35) MMP2MMP9MMEBIRC2CAPN1
SCHEMBL20979796 0.88 CTSB (0.38) MMP2MMP9MMEBIRC2CTSL
SCHEMBL26542735 0.87 CTSK (0.35) MMP2MMP9MMECAPN1CTSL
SCHEMBL20979753 0.86 MME (0.50) MMEBIRC2LTA4HACECAPN1
SCHEMBL20979758 0.85 CTSL (0.41) MMP2MMP9CTSLCTSBCTSS
SCHEMBL23323960 0.84 CTSL (0.40) CTSLCTSBCTSSCTSK
SCHEMBL26543946 0.84 CTSK (0.44) CAPN1CTSLCTSBCTSSCTSK
SCHEMBL26362964 0.83 MAPT (0.32) MMP2MMP9CAPN1

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