SCHEMBL19955019

SCHEMBL19955019

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.32
MMP2 P08253 3/20 0.32
MMP9 P14780 3/20 0.32
MMP8 P22894 3/20 0.32

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
SCHEMBL19866110 1.00 MMP3 (0.32) MMP3MMP2MMP9MMP8
SCHEMBL19955110 1.00 MMP3 (0.32) MMP3MMP2MMP9MMP8
SCHEMBL20664927 1.00 MMP3 (0.32) MMP3MMP2MMP9MMP8
SCHEMBL19955112 1.00 MMP3 (0.32) MMP3MMP2MMP9MMP8
SCHEMBL20664934 1.00 MMP3 (0.32) MMP3MMP2MMP9MMP8
SCHEMBL19955022 0.97 MMP2 (0.33) MMP3MMP2MMP9MMP8
SCHEMBL19955025 0.97 MMP2 (0.33) MMP3MMP2MMP9MMP8
SCHEMBL18123722 0.82 MMP9 (0.38) MMP3MMP2MMP9MMP8
SCHEMBL19866117 0.81 MMP2 (0.33) MMP3MMP2MMP9MMP8
SCHEMBL19866065 0.76 MMP2 (0.31) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020147624-A1 CYCLOSPORIN ANALOG AND USE THEREOF 睿诺医疗科技(上海)有限公司 2020-07-23 WO disclosed
US-9914755-B2 Cyclosporin derivatives wherein the MeBmt sidechain has been cyclized ALLERGAN, INC. (US) 2018-03-13 US disclosed