SCHEMBL11470239

SCHEMBL11470239

O=COC1OCc2ccccc2O1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.45
MAOA P21397 6/20 0.34
MAOB P27338 6/20 0.34
AOC2 O75106 5/20 0.34
DAO P14920 1/20 0.34
CA2 P00918 2/20 0.33
DYRK1A Q13627 1/20 0.32
IGF1R P08069 1/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSP90AB1 P08238 1/20 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
SCHEMBL6489987 0.78 CA2 (0.37) CA2
SCHEMBL8524032 0.74 NISCH (0.54) NISCHMAOAMAOBAOC2DAO
SCHEMBL6265801 0.74 NISCH (0.49) NISCHMAOAMAOBAOC2DAO
SCHEMBL2502594 0.71 NISCH (0.53) NISCHMAOAMAOBAOC2DAO
SCHEMBL2462764 0.70 NISCH (0.49) NISCHMAOAMAOBAOC2DAO
SCHEMBL3080227 0.70 NISCH (0.56) NISCHMAOAMAOBAOC2DAO
SCHEMBL6747489 0.70 CA2 (0.44) MAOAMAOBAOC2CA2
SCHEMBL23183087 0.67 NISCH (0.53) NISCHMAOAMAOBAOC2DAO
SCHEMBL2597074 0.67 NISCH (0.58) NISCHMAOAMAOBAOC2DAO
SCHEMBL4954350 0.67 NISCH (0.53) NISCHMAOAMAOBAOC2DAO

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-0018674-A1 Benzodioxincarboxylic acid derivatives, their preparation and their inclusion in lipogenesis inhibiting compositions SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1980-11-12 EP disclosed