SCHEMBL28930601

SCHEMBL28930601

COC(=O)CCC(C#N)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 14/20 0.45
CTSS P25774 11/20 0.45
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CYP2D6 P10635 1/20 0.39
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL28930599 1.00 CTSK (0.45) CTSKCTSSCTSLCTSBCA2
SCHEMBL22527164 0.85 CA2 (0.40) CTSKCTSSCTSLCTSBCA2
SCHEMBL6654092 0.83 CTSK (0.58) CTSKCTSSCTSLCTSBCA2
SCHEMBL3238391 0.81 CTSS (0.50) CTSKCTSSCTSLCTSBCA2
SCHEMBL3238402 0.81 CTSS (0.50) CTSKCTSSCTSLCTSBCA2
SCHEMBL16138557 0.80 CTSK (0.41) CTSKCTSSCTSLCTSBCA2
SCHEMBL2508772 0.80 CTSS (0.50) CTSKCTSSCTSLCTSBCA2
SCHEMBL8185522 0.80 CTSK (0.60) CTSKCTSS
SCHEMBL165351 0.80 CYP2D6 (0.53) CTSKCTSSCTSLCTSBCA2
SCHEMBL165350 0.80 CYP2D6 (0.53) CTSKCTSSCTSLCTSBCA2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115557871-A Synthesis method of antiviral compound PF-07321332 杭州科巢生物科技有限公司 2023-01-03 CN claimed
CN-115557871-B Synthesis method of antiviral compound PF-07321332 杭州科巢生物科技有限公司 2024-06-04 CN disclosed
CN-115557871-B Synthesis method of antiviral compound PF-07321332 杭州科巢生物科技有限公司 2024-06-04 CN disclosed
CN-115557871-A Synthesis method of antiviral compound PF-07321332 杭州科巢生物科技有限公司 2023-01-03 CN disclosed
CN-115557871-A Synthesis method of antiviral compound PF-07321332 杭州科巢生物科技有限公司 2023-01-03 CN disclosed