SCHEMBL11412349

SCHEMBL11412349

CNS(=O)(=O)Oc1ccc2c(c1)C(C)(C)C(OC(C)C)O2

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
ACHE P22303 7/20 0.31
BCHE P06276 7/20 0.31

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
SCHEMBL11271884 0.89 CA2 (0.37) CA2
SCHEMBL11669010 0.86 CA2 (0.36) CA2CA12ACHEBCHE
SCHEMBL11252031 0.84 ALPI (0.36) CA2CA12ACHEBCHE
SCHEMBL11419854 0.83 CA2 (0.34) CA2CA12ACHEBCHE
SCHEMBL11410871 0.83 ALK (0.36) CA2CA12
SCHEMBL11668914 0.82 ACHE (0.34) ACHEBCHE
SCHEMBL11669471 0.81 ACHE (0.34) ACHEBCHE
SCHEMBL11416220 0.81 CA2 (0.33) CA2CA12ACHEBCHE
SCHEMBL11808481 0.81 NQO1 (0.32) ACHEBCHE
SCHEMBL11669795 0.80 CA2 (0.37) CA2CA12ACHEBCHE

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-4188202-A HERBICIDE, SULFONATED BENZOFURAN, ETHYLENE OXIDEPROPYLENE OXIDE BLOCK COPOLYMER NONIONIC SURFACTANT, XANTHOMONAS HYDROPHILIC COLLOID, ANIONIC DEFLOCCULANT FISONS LIMITED (GB) 1980-02-12 US disclosed