SCHEMBL22839942

SCHEMBL22839942

CNc1c(O)ccc(CCN(Cc2ccc(C(=O)O)cc2C)C(=O)OC(C)(C)C)c1/C=C\C=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.33
▸ HDAC3 O15379 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ NCOR2 Q9Y618 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
SCHEMBL22839818 0.91 EPHX2 (0.34) EPHX2
SCHEMBL22839884 0.90 HTT (0.35) EPHX2
SCHEMBL22839885 0.90 P4HB (0.32) —
SCHEMBL22839829 0.89 TSHR (0.32) —
SCHEMBL22839824 0.88 HDAC1 (0.39) HDAC3HDAC1HDAC2NCOR2
SCHEMBL22839962 0.85 NAMPT (0.32) —
SCHEMBL22839880 0.84 — —
SCHEMBL22839893 0.84 SSTR4 (0.32) —
SCHEMBL22839961 0.82 NAMPT (0.33) HDAC3HDAC1HDAC2NCOR2
SCHEMBL22839951 0.82 NAMPT (0.31) —

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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