SCHEMBL30914040

SCHEMBL30914040

O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)O

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.54
CTSB P07858 2/20 0.54

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
SCHEMBL25766848 0.92 CTSL (0.56) CTSLCTSB
SCHEMBL25287585 0.91
SCHEMBL25287586 0.91
SCHEMBL25287587 0.91
SCHEMBL25766839 0.88 CTSL (0.70) CTSLCTSB
SCHEMBL25293383 0.85 CTSL (0.48) CTSLCTSB
SCHEMBL25293384 0.85 CTSL (0.48) CTSLCTSB
SCHEMBL25241272 0.85 CTSL (0.48) CTSLCTSB
SCHEMBL25007334 0.85 CTSL (0.57) CTSLCTSB
SCHEMBL15985559 0.85 CTSL (0.54) 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-118103351-A Coronavirus inhibitors 共晶制药公司 2024-05-28 CN disclosed