SCHEMBL22839900

SCHEMBL22839900

CNc1c(O)ccc(C(O)CN(Cc2ccc(C)cc2)C(=O)OC(C)(C)C)c1/C=C\C=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 5/20 0.35
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33
▸ STAT5B P51692 1/20 0.30

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
SCHEMBL21573495 0.74 ADRB2 (0.42) HDAC1
SCHEMBL22839877 0.72 NAMPT (0.38) HDAC3HDAC1HDAC2NCOR2
SCHEMBL22839965 0.71 ADRB2 (0.54) —
SCHEMBL22839961 0.71 NAMPT (0.33) HDAC3HDAC1HDAC2NCOR2
SCHEMBL22839937 0.69 NAMPT (0.33) HDAC3HDAC1HDAC2NCOR2STAT5B
SCHEMBL22839935 0.68 PPARG (0.36) HDAC3HDAC1HDAC2NCOR2
SCHEMBL22839824 0.68 HDAC1 (0.39) HDAC3HDAC1HDAC2NCOR2
SCHEMBL22839942 0.67 EPHX2 (0.33) HDAC3HDAC1HDAC2NCOR2
SCHEMBL19903846 0.67 ADRB2 (0.36) —
SCHEMBL23223709 0.65 ADRB2 (0.39) —

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
EP-3484879-B1 HYDROXYQUINOLINONE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARM SPA (IT) 2020-12-30 — — EP disclosed
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