SCHEMBL28429784

SCHEMBL28429784

O=C(Cl)C1CCCCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ ACE P12821 3/20 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
SCHEMBL20400973 1.00 CA12 (0.41) CA12CA1CA2CA9ACE
SCHEMBL3721142 0.94 ACE (0.44) CA12CA1CA2CA9ACE
SCHEMBL3739768 0.94 ACE (0.44) CA12CA1CA2CA9ACE
SCHEMBL1524224 0.94 ACE (0.44) CA12CA1CA2CA9ACE
SCHEMBL28432499 0.85 ATM (0.32) ACE
SCHEMBL20401099 0.85 ATM (0.32) ACE
SCHEMBL1950731 0.83 ACE (0.50) ACE
SCHEMBL6478173 0.83 ACE (0.50) ACE
SCHEMBL258790 0.83 ACE (0.50) ACE
SCHEMBL23247452 0.81 CA12 (0.37) CA12CA1CA2CA9ACE

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-111356456-A 2-arylsulfonamido-iV-arylacetamide derived Stat3 inhibitor 夏威夷大学 2020-06-30 — — CN disclosed
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