SCHEMBL22839829

SCHEMBL22839829

CCOc1cc(C(=O)O)ccc1CN(CCc1ccc(O)c(NC)c1/C=C\C=O)C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL22839884 0.92 HTT (0.35) —
SCHEMBL22839942 0.89 EPHX2 (0.33) —
SCHEMBL22839818 0.88 EPHX2 (0.34) —
SCHEMBL22839885 0.87 P4HB (0.32) —
SCHEMBL22839824 0.85 HDAC1 (0.39) —
SCHEMBL22839962 0.84 NAMPT (0.32) —
SCHEMBL22839795 0.83 — —
SCHEMBL22839880 0.81 — —
SCHEMBL22839893 0.81 SSTR4 (0.32) —
SCHEMBL22839935 0.80 PPARG (0.36) —

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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