SCHEMBL8530467

SCHEMBL8530467

Oc1cccc(OC2CCc3ccccc32)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.50
GFRA3 O60609 2/20 0.46
GFRA2 O00451 1/20 0.46
FFAR1 O14842 3/20 0.44
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
KCNH2 Q12809 1/20 0.41
POLB P06746 1/20 0.39
PIN1 Q13526 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
RET P07949 1/20 0.39
GID4 Q8IVV7 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
SCHEMBL8529487 0.83 IDO1 (0.54) IDO1GFRA3GFRA2FFAR1PIN1
SCHEMBL12017975 0.82 IDO1 (0.61) IDO1GFRA3GFRA2FFAR1
SCHEMBL31360588 0.82 IDO1 (0.50) IDO1GFRA3GFRA2FFAR1GID4
SCHEMBL1746643 0.82 IDO1 (0.50) IDO1GFRA3GFRA2FFAR1OPRM1
SCHEMBL1744666 0.81 GFRA3 (0.53) IDO1GFRA3GFRA2FFAR1RET
SCHEMBL1746652 0.77 GFRA3 (0.63) IDO1GFRA3GFRA2FFAR1RET
SCHEMBL12004141 0.76 ALDH1A1 (0.41) IDO1GFRA3GFRA2FFAR1RET
SCHEMBL8527419 0.76 OPRK1 (0.47) IDO1OPRM1OPRK1KCNH2POLB
SCHEMBL1747049 0.75 GFRA3 (0.58) IDO1GFRA3GFRA2FFAR1RET
SCHEMBL8409153 0.75 IDO1 (0.49) 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