SCHEMBL7454529

SCHEMBL7454529

COc1ccc(C(O)CCCc2ccccc2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
TAS1R3 Q7RTX0 1/20 0.50
TAS1R1 Q7RTX1 1/20 0.50
HPGD P15428 1/20 0.48
LPAR1 Q92633 4/20 0.47
ADRB2 P07550 2/20 0.47
DRD2 P14416 2/20 0.47
DRD1 P21728 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
ADRB1 P08588 1/20 0.47
PDE4A P27815 3/20 0.45
PDE4B Q07343 3/20 0.45
PDE4C Q08493 3/20 0.45
PDE4D Q08499 3/20 0.45
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL8534575 0.86 ADRB2 (0.54) SLC6A2SLC6A4SLC6A3TAS1R3TAS1R1
SCHEMBL7406229 0.83 MTNR1A (0.53) HPGDADRB2DRD2DRD1DRD4
SCHEMBL7452361 0.78 ALDH1A1 (0.56) SLC6A4PDE4APDE4BPDE4CPDE4D
SCHEMBL10414961 0.77 STAT3 (0.60) SLC6A4SLC6A3ADRB2DRD2DRD1
SCHEMBL12064809 0.76 HRH1 (0.47) ALDH1A1
SCHEMBL15965415 0.74 HIF1A (0.57) SLC6A2SLC6A4SLC6A3TAS1R3TAS1R1
SCHEMBL12198003 0.73 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3TAS1R3TAS1R1
SCHEMBL7042336 0.73 TP53 (0.56) ADRB2PDE4A
SCHEMBL4575395 0.73 RIPK1 (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL12065148 0.72 RAB9A (0.54) SLC6A2SLC6A3ADRB2DRD3ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877730-B1 ARYL ACRYLICS FOR USE AS FUNGICIDE MONSANTO TECHNOLOGY LLC (US) 2002-10-02 EP disclosed
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