SCHEMBL18557723

SCHEMBL18557723

CC(C)(C)OC(=O)N1CCC(COC(=O)Cc2cccc(OCCCCC3OCCO3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 10/20 0.49
▸ SLC2A1 P11166 1/20 0.46
▸ ACACB O00763 3/20 0.42
▸ ACACA Q13085 2/20 0.41
▸ YAP1 P46937 1/20 0.40
▸ SGMS1 Q86VZ5 2/20 0.40
▸ SGMS2 Q8NHU3 2/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ FAAH O00519 1/20 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
SCHEMBL17978913 0.82 GPR119 (0.47) GPR119SLC2A1YAP1EPHX2
SCHEMBL31457748 0.82 GPR119 (0.53) GPR119SLC2A1YAP1
SCHEMBL2766618 0.81 GPR119 (0.58) GPR119SLC2A1YAP1SGMS1SGMS2
SCHEMBL2768171 0.79 GPR119 (0.60) GPR119SLC2A1YAP1SGMS1SGMS2
SCHEMBL22839895 0.79 GPR119 (0.47) GPR119SLC2A1YAP1
SCHEMBL3362056 0.78 KDM4E (0.57) GPR119YAP1
SCHEMBL13888078 0.77 GPR119 (0.62) GPR119SLC2A1YAP1SGMS1SGMS2
SCHEMBL13865088 0.76 GPR119 (0.61) GPR119SLC2A1YAP1SGMS1SGMS2
SCHEMBL17078825 0.75 SLC2A1 (0.61) GPR119SLC2A1YAP1
SCHEMBL3360747 0.75 KDM4E (0.56) GPR119YAP1

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
US-9579314-B2 Compounds having muscarinic receptor antagonist and BETA2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2017-02-28 — — US disclosed
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