SCHEMBL28969313

SCHEMBL28969313

CC(C)CC(NC(=O)OCc1ccccc1F)C(=O)NC(C=O)C[C@@H]1CCNC1=O

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.56
CAPN1 P07384 1/20 0.56
CTSB P07858 5/20 0.55
CTSS P25774 2/20 0.55
CTSK P43235 1/20 0.55
CTSF Q9UBX1 1/20 0.55

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
SCHEMBL28969316 1.00 CTSL (0.56) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL28969309 1.00 CTSL (0.56) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL30205474 0.89 CTSL (0.65) CTSLCTSB
SCHEMBL30268775 0.88 CTSL (0.58) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL24090279 0.88 CTSL (0.71) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL14838004 0.88 CTSL (0.71) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL30268762 0.87 CTSL (0.60) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL30268763 0.85 CTSL (0.59) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL23883363 0.84 CTSL (0.80) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL23883360 0.84 CTSL (0.80) CTSLCAPN1CTSBCTSSCTSK

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-115667215-A Broad-spectrum antiviral medicine for resisting coronavirus 堪萨斯州立大学研究基金会 2023-01-31 CN disclosed