SCHEMBL8529487

SCHEMBL8529487

Oc1ccc(OC2CCc3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.54
FFAR1 O14842 4/20 0.52
CYP11B2 P19099 1/20 0.40
HSD11B1 P28845 1/20 0.39
GFRA2 O00451 1/20 0.39
GFRA3 O60609 1/20 0.39
PIN1 Q13526 1/20 0.39
PDPK1 O15530 1/20 0.39

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
SCHEMBL12017975 0.86 IDO1 (0.61) IDO1FFAR1CYP11B2GFRA2GFRA3
SCHEMBL12320928 0.83 IDO1 (0.54) IDO1FFAR1CYP11B2PIN1PDPK1
SCHEMBL21142124 0.83 IDO1 (0.54) IDO1FFAR1CYP11B2GFRA2GFRA3
SCHEMBL21142126 0.83 IDO1 (0.50) IDO1FFAR1CYP11B2GFRA2GFRA3
SCHEMBL8530467 0.83 IDO1 (0.50) IDO1FFAR1GFRA2GFRA3PIN1
SCHEMBL12320190 0.80 FFAR1 (0.52) IDO1FFAR1CYP11B2GFRA2GFRA3
SCHEMBL12320501 0.80 IDO1 (0.50) IDO1FFAR1
SCHEMBL1746615 0.78 FFAR1 (0.60) IDO1FFAR1GFRA2GFRA3
SCHEMBL1746407 0.78 FFAR1 (0.60) IDO1FFAR1
SCHEMBL12006669 0.76 FFAR1 (0.42) IDO1FFAR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877730-A1 ARYL ACRYLICS FOR USE AS FUNGICIDE MONSANTO COMPANY (US) 1998-11-18 EP disclosed
US-5739140-A AGRICULTURAL FUNGICIDES MONSANTO COMPANY (US) 1998-04-14 US disclosed
WO-1997016413-A9 ARYL ACRYLICS FOR USE AS FUNGICIDE 1997-08-14 WO disclosed
WO-1997016413-A1 ARYL ACRYLICS FOR USE AS FUNGICIDE MONSANTO COMPANY (US) 1997-05-09 WO disclosed