SCHEMBL28772175

SCHEMBL28772175

CNC(CC1CC1)C(=O)OC(Cc1ccc(N2CCOCC2)cc1)C(=O)N(C)C(CC(C)C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.39
CTSK P43235 1/20 0.39
REN P00797 15/20 0.39
ACACB O00763 1/20 0.37
PSMB5 P28074 2/20 0.36
PSMB8 P28062 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL19066747 1.00 CTSL (0.39) CTSLCTSKRENACACBPSMB5
SCHEMBL28772188 0.91 REN (0.38) CTSLCTSKRENACACBPSMB5
SCHEMBL19066715 0.91 REN (0.38) CTSLCTSKRENACACBPSMB5
SCHEMBL19066743 0.90 AOC3 (0.36) REN
SCHEMBL19088489 0.90 REN (0.37) CTSLCTSKRENACACBALDH1A1
SCHEMBL19088600 0.88 CTSK (0.43) CTSLCTSKREN
SCHEMBL19066754 0.88 REN (0.36) CTSLCTSKRENACACBPSMB8
SCHEMBL24297661 0.88 REN (0.36) CTSLCTSKRENACACBPSMB5
SCHEMBL19245058 0.88 REN (0.36) CTSLCTSKRENACACBPSMB5
SCHEMBL19088558 0.86 CTSK (0.42) CTSLCTSKREN

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
CN-108699052-B Anthelmintic depsipeptide compounds 勃林格殷格翰动物保健美国公司 2022-04-29 CN disclosed