SCHEMBL28476405

SCHEMBL28476405

CC(C)(C)OC(=O)OC(=O)C1CC(F)CN1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.35
SMYD3 Q9H7B4 1/20 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
SCHEMBL2500543 0.87 CTSC (0.39) CTSCSMYD3
SCHEMBL29308167 0.87 CTSC (0.39) CTSCSMYD3
SCHEMBL11448952 0.87 CTSC (0.39) CTSCSMYD3
SCHEMBL19900673 0.86 CTSC (0.35) CTSCSMYD3
SCHEMBL3997238 0.83 DPP4 (0.37) SMYD3
SCHEMBL4463526 0.83 DPP4 (0.37) SMYD3
SCHEMBL8141310 0.77
SCHEMBL8151905 0.77 BTK (0.43)
SCHEMBL8135113 0.77 BTK (0.43)
SCHEMBL25384116 0.76 CTSC (0.38) CTSCSMYD3

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-106456604-B Aryl, heteroaryl and heterocyclic compounds for the treatment of complement mediated diseases 艾其林医药公司 2020-11-06 CN disclosed