SCHEMBL30146882

SCHEMBL30146882

CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Cl)c1F

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 12/20 0.51
▸ CTSS P25774 12/20 0.51
▸ CTSL P07711 2/20 0.44
▸ TSHR P16473 1/20 0.43
▸ SCN9A Q15858 2/20 0.42
▸ SCN10A Q9Y5Y9 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ CFD P00746 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL19236713 1.00 CTSK (0.51) CTSKCTSSCTSLTSHRSCN9A
SCHEMBL19236699 0.94 CTSK (0.53) CTSKCTSSCTSLTSHRSCN9A
SCHEMBL29781539 0.94 CTSK (0.53) CTSKCTSSCTSLTSHRSCN9A
SCHEMBL28803346 0.94 CTSK (0.53) CTSKCTSSCTSLTSHRSCN9A
SCHEMBL30146876 0.89 CFD (0.52) CTSKCTSSCTSLSCN9ASCN10A
SCHEMBL19236710 0.89 CFD (0.52) CTSKCTSSCTSLSCN9ASCN10A
SCHEMBL19236873 0.89 TSHR (0.58) CTSKCTSSTSHRCYP3A4ALDH1A1
SCHEMBL30146994 0.89 TSHR (0.58) CTSKCTSSTSHRCYP3A4ALDH1A1
SCHEMBL28803175 0.88 CTSS (0.48) CTSKCTSSCTSLSCN9ASCN10A
SCHEMBL19236696 0.88 CTSS (0.48) CTSKCTSSCTSLSCN9ASCN10A

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
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