SCHEMBL6007745

SCHEMBL6007745

Cc1cc(OCC2(O)CCS(=O)(=O)CC2)cc(C)c1-c1cccc(CN(c2ccc3c(CC(=O)O)coc3c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.46
PTPN22 Q9Y2R2 6/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DRD4 P21917 1/20 0.32
ADRA1D P25100 1/20 0.32
DRD3 P35462 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN1 P18031 1/20 0.31
PTPN12 Q05209 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL6007749 0.95 FFAR1 (0.43) FFAR1PTPN22MAPTALDH1A1L3MBTL1
SCHEMBL6009122 0.93 FFAR1 (0.45) FFAR1PTPN22MAPTALDH1A1L3MBTL1
SCHEMBL6009129 0.93 FFAR1 (0.45) FFAR1PTPN22MAPTALDH1A1L3MBTL1
SCHEMBL3627662 0.90 FFAR1 (0.42) FFAR1PTPN22MAPTALDH1A1MEN1
SCHEMBL3627665 0.86 FFAR1 (0.37) FFAR1PTPN22MEN1KMT2APTPN1
SCHEMBL6009101 0.85 FFAR1 (0.46) FFAR1PTPN22
SCHEMBL6009093 0.85 FFAR1 (0.46) FFAR1PTPN22
SCHEMBL3631313 0.81 FFAR1 (0.55) FFAR1MAPTALDH1A1DRD4ADRA1D
SCHEMBL13226223 0.79 FFAR1 (0.39) FFAR1PTPN22MAPTALDH1A1L3MBTL1
SCHEMBL3630891 0.77 FFAR1 (0.67) FFAR1

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-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 EP disclosed