SCHEMBL29214288

SCHEMBL29214288

NC(=O)OC(C=O)CC1CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 2/20 0.36
▸ ENPEP Q07075 2/20 0.36
▸ SLC1A3 P43003 2/20 0.33
▸ SLC1A2 P43004 2/20 0.33
▸ SLC1A1 P43005 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ CTSK P43235 2/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ CTSL P07711 1/20 0.31
▸ CTSB P07858 1/20 0.31
▸ CTSS P25774 1/20 0.31

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
SCHEMBL29214297 1.00 ANPEP (0.36) ANPEPENPEPSLC1A3SLC1A2SLC1A1
SCHEMBL28376567 0.93 SLC1A3 (0.37) ANPEPENPEPSLC1A3SLC1A2SLC1A1
SCHEMBL9388517 0.91 CTSK (0.40) SLC1A3SLC1A2SLC1A1CTSKALOX5
SCHEMBL30890796 0.77 CTSK (0.37) ANPEPENPEPCTSKCTSLCTSB
SCHEMBL28119039 0.74 ANPEP (0.39) ANPEPENPEPSLC1A3SLC1A2SLC1A1
SCHEMBL14784713 0.72 LMNA (0.48) ANPEPENPEPTDP1CTSKCTSL
SCHEMBL16751862 0.72 CTSK (0.35) ANPEPENPEPTDP1CTSKALOX5
SCHEMBL21876522 0.71 — —
SCHEMBL28975073 0.71 — —
SCHEMBL29067937 0.71 ANPEP (0.33) ANPEPENPEPSLC1A3SLC1A2SLC1A1

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-117858867-A SARS-COV-2 MPRO inhibitor compounds 赫普泰雅治疗有限公司 2024-04-09 — — CN disclosed
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