SCHEMBL30968587

SCHEMBL30968587

C#CCCNC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC#C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSS P25774 15/20 0.50
CTSK P43235 13/20 0.50
CAPN1 P07384 1/20 0.50
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44
P4HB P07237 1/20 0.41
CA2 P00918 1/20 0.40

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
SCHEMBL29238052 1.00 CTSS (0.50) CTSSCTSKCAPN1BCHEACHE
SCHEMBL24344775 0.86 CTSS (0.56) CTSSCTSKCAPN1BCHEACHE
SCHEMBL26046247 0.84 CTSK (0.58) CTSSCTSKCAPN1BCHEACHE
SCHEMBL20434772 0.83 CTSS (0.53) CTSSCTSKCAPN1BCHEACHE
SCHEMBL24072849 0.80 CAPN1 (0.59) CTSSCTSKCAPN1BCHEACHE
SCHEMBL23895013 0.80 CAPN1 (0.59) CTSSCTSKCAPN1BCHEACHE
SCHEMBL25835480 0.79 CTSK (0.52) CTSSCTSKCAPN1BCHEACHE
SCHEMBL20438939 0.79 CAPN1 (0.49) CTSSCTSKCAPN1BCHEACHE
SCHEMBL31725868 0.78 CTSS (0.47) CTSSCTSKCAPN1CTSLCTSB
SCHEMBL21494622 0.78 CTSS (0.53) CTSSCTSKCAPN1CTSLCTSB

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-118239928-A Fibroblast activation protein affinity compound and radioactive marker thereof 南京思锘新药研发有限公司 2024-06-25 CN disclosed