SCHEMBL17166629

SCHEMBL17166629

C#CCOc1ccc(CC(N)C(=O)ON)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ ITGB3 P05106 1/20 0.44
▸ ITGA2B P08514 1/20 0.44
▸ GSTP1 P09211 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ LTA4H P09960 2/20 0.39
▸ LAP3 P28838 1/20 0.39
▸ MAOA P21397 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ SLC7A5 Q01650 2/20 0.37
▸ ACACB O00763 3/20 0.36

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
SCHEMBL16441206 1.00 CA12 (0.44) CA12CA2CA9CA1CA4
SCHEMBL2742844 0.90 CA12 (0.45) CA12CA2CA9CA1CA4
SCHEMBL231156 0.90 CA12 (0.45) CA12CA2CA9CA1CA4
SCHEMBL18025354 0.89 CA12 (0.44) CA12CA2CA9CA1CA4
SCHEMBL10001634 0.87 LTA4H (0.47) CA12CA2CA9CA1CA4
SCHEMBL20215813 0.87 LTA4H (0.47) CA12CA2CA9CA1CA4
SCHEMBL10001633 0.87 CA12 (0.47) CA12CA2CA9CA1CA4
Hydrochloric Acid SCHEMBL5755082 0.86 LTA4H (0.46) CA12CA2CA9CA1CA4
SCHEMBL2802898 0.85 CA12 (0.46) CA12CA2CA9CA1CA4
SCHEMBL4865204 0.85 CA12 (0.46) CA12CA2CA9CA1CA4

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-2930182-A1 MODIFIED INSULIN POLYPEPTIDES AND THEIR USES Ambrx, Inc. (US) 2015-10-14 — — EP disclosed
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