Sugi Predict

Sugi Predict / Compounds / SCHEMBL6007749

SCHEMBL6007749

SCHEMBL6007749

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 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 8/20 0.43
▸ PTPN22 Q9Y2R2 7/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PTPN1 P18031 2/20 0.31
▸ PTPN12 Q05209 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ PPARA Q07869 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
SCHEMBL6007745 0.95 FFAR1 (0.46) FFAR1PTPN22MEN1KMT2APTPN1
SCHEMBL6009122 0.93 FFAR1 (0.45) FFAR1PTPN22MEN1KMT2APTPN1
SCHEMBL6009129 0.93 FFAR1 (0.45) FFAR1PTPN22MEN1KMT2APTPN1
SCHEMBL3627665 0.90 FFAR1 (0.37) FFAR1PTPN22MEN1KMT2APTPN1
SCHEMBL3627662 0.86 FFAR1 (0.42) FFAR1PTPN22MEN1KMT2APTPN1
SCHEMBL6009101 0.85 FFAR1 (0.46) FFAR1PTPN22
SCHEMBL6009093 0.85 FFAR1 (0.46) FFAR1PTPN22
SCHEMBL3631312 0.81 FFAR1 (0.49) FFAR1MEN1KMT2AALDH1A1MAPT
SCHEMBL13226223 0.79 FFAR1 (0.39) FFAR1PTPN22MEN1KMT2AALDH1A1
SCHEMBL3630894 0.77 FFAR1 (0.59) 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