SCHEMBL30146876

SCHEMBL30146876

CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCc1cccc(Cl)c1F

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 3/20 0.52
▸ CTSS P25774 11/20 0.49
▸ CTSK P43235 9/20 0.49
▸ CTSL P07711 2/20 0.45
▸ SCN9A Q15858 4/20 0.45
▸ CTSB P07858 2/20 0.43
▸ SCN10A Q9Y5Y9 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42

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
SCHEMBL19236710 1.00 CFD (0.52) CFDCTSSCTSKCTSLSCN9A
SCHEMBL28803175 0.90 CTSS (0.48) CFDCTSSCTSKCTSLSCN9A
SCHEMBL29781803 0.90 CTSS (0.48) CFDCTSSCTSKCTSLSCN9A
SCHEMBL19236696 0.90 CTSS (0.48) CFDCTSSCTSKCTSLSCN9A
SCHEMBL30146896 0.89 CTSS (0.51) CTSSCTSKCTSLCTSB
SCHEMBL19236859 0.89 CTSS (0.51) CTSSCTSKCTSLCTSB
SCHEMBL30146882 0.89 CTSK (0.51) CFDCTSSCTSKCTSLSCN9A
SCHEMBL19236713 0.89 CTSK (0.51) CFDCTSSCTSKCTSLSCN9A
SCHEMBL19236869 0.88 CTSS (0.61) CTSSCTSKCTSLSCN9ACTSB
SCHEMBL19236699 0.88 CTSK (0.53) CTSSCTSKCTSLSCN9ASCN10A

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-115490751-A Factor D inhibitors 拜奥克里斯特制药公司 2022-12-20 — — CN disclosed
Send feedback