SCHEMBL19866065

SCHEMBL19866065

CNC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)N[C@H](C)C(=O)NC(=O)[C@H](CC(C)C)NC

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
MMP8 P22894 2/20 0.31

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
SCHEMBL19866117 0.93 MMP2 (0.33) MMP2MMP9MMP8
SCHEMBL19866115 0.91
SCHEMBL19866035 0.89 MMP2 (0.31) MMP2MMP9MMP8
SCHEMBL19866116 0.83
SCHEMBL19866067 0.81 MMP1 (0.31)
SCHEMBL19955025 0.79 MMP2 (0.33) MMP2MMP9MMP8
SCHEMBL19955022 0.79 MMP2 (0.33) MMP2MMP9MMP8
SCHEMBL17524642 0.78 MMP9 (0.32) MMP2MMP9MMP8
SCHEMBL23109986 0.78 BACE1 (0.39) MMP2MMP9MMP8
SCHEMBL20664934 0.76 MMP3 (0.32) MMP2MMP9MMP8

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-2855508-B1 CYCLOSPORIN A ANALOGS ALLERGAN INC (US) 2018-02-14 EP disclosed