SCHEMBL29613837

SCHEMBL29613837

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nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.41
▸ CTSB P07858 3/20 0.41
▸ NOD1 Q9Y239 1/20 0.37

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
SCHEMBL28732893 1.00 CTSL (0.41) CTSLCTSBNOD1
SCHEMBL25134601 0.86 CTSL (0.36) CTSLCTSB
SCHEMBL23836465 0.86 CTSL (0.36) CTSLCTSB
SCHEMBL24020662 0.85 CTSL (0.39) CTSLCTSB
SCHEMBL25650810 0.84 CTSL (0.39) CTSLCTSB
SCHEMBL30396436 0.82 CTSL (0.39) CTSLCTSB
SCHEMBL25761980 0.79 CAPN1 (0.36) CTSL
SCHEMBL30009270 0.79 CAPN1 (0.36) CTSL
SCHEMBL23782050 0.78 IDO1 (0.52) CTSLCTSB
SCHEMBL8278579 0.78 IDO1 (0.52) CTSLCTSB

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-114466838-A Nitrile-containing antiviral compounds 辉瑞大药厂 2022-05-10 — — CN disclosed
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