Sugi Predict

Sugi Predict / Compounds / SCHEMBL6009101

SCHEMBL6009101

SCHEMBL6009101

CCOCCOc1cc(C)c(-c2cccc(CN(c3ccc4c(CC(=O)O)coc4c3)S(=O)(=O)c3ccccc3[N+](=O)[O-])c2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 18/20 0.46
▸ PTPN22 Q9Y2R2 2/20 0.37

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
SCHEMBL6009093 1.00 FFAR1 (0.46) FFAR1PTPN22
SCHEMBL13226223 0.94 FFAR1 (0.39) FFAR1PTPN22
SCHEMBL3632754 0.89 FFAR1 (0.39) FFAR1PTPN22
SCHEMBL3632751 0.89 FFAR1 (0.39) FFAR1PTPN22
SCHEMBL6009129 0.86 FFAR1 (0.45) FFAR1PTPN22
SCHEMBL6009122 0.86 FFAR1 (0.45) FFAR1PTPN22
SCHEMBL6007749 0.85 FFAR1 (0.43) FFAR1PTPN22
SCHEMBL6007745 0.85 FFAR1 (0.46) FFAR1PTPN22
SCHEMBL3630213 0.80 FFAR1 (0.50) FFAR1
SCHEMBL3627665 0.75 FFAR1 (0.37) FFAR1PTPN22

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