SCHEMBL22839895

SCHEMBL22839895

CC(C)(C)OC(=O)N1CCC(COC(=O)Cc2cccc(O)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 7/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ TGFBR1 P36897 2/20 0.46
▸ YAP1 P46937 2/20 0.45
▸ SLC2A1 P11166 1/20 0.45
▸ STS P08842 1/20 0.44
▸ KDM1A O60341 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.42

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
SCHEMBL3362056 0.88 KDM4E (0.57) GPR119KDM4EPKMTGFBR1YAP1
SCHEMBL391151 0.81 GPR119 (0.52) GPR119KDM4EPKMSLC2A1
SCHEMBL30812262 0.81 GPR119 (0.51) GPR119KDM4EPKMTGFBR1YAP1
SCHEMBL13097087 0.81 SLC2A1 (0.57) GPR119KDM4EPKMTGFBR1SLC2A1
SCHEMBL7160444 0.79 KDM1A (0.52) GPR119KDM1A
SCHEMBL18557723 0.79 GPR119 (0.49) GPR119YAP1SLC2A1
SCHEMBL27379752 0.79 GPR119 (0.50) GPR119KDM4EPKMTGFBR1STS
SCHEMBL3360747 0.78 KDM4E (0.56) GPR119KDM4EPKMYAP1STS
SCHEMBL29631500 0.78 CHRM3 (0.54) GPR119KDM4EPKMTGFBR1YAP1
SCHEMBL17978800 0.78 CHRM3 (0.54) GPR119KDM4EPKMTGFBR1YAP1

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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