SCHEMBL9707075

SCHEMBL9707075

Cc1ccc(S(=O)(=O)N[C@H](C)Cc2ccc(OC(C)(C)C(=O)NCCCC(=O)O)cc2)cc1.[Na]

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.45
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 8/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGAV P06756 1/20 0.43
ITGA5 P08648 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
GAA P10253 2/20 0.42
POLB P06746 2/20 0.42
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.40
NPY5R Q15761 1/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 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
SCHEMBL9707043 0.92 ALDH1A1 (0.43) PPARAALDH1A1KDM4EHPGDITGB3
SCHEMBL9707071 0.92 ALDH1A1 (0.43) PPARAALDH1A1KDM4EHPGDITGB3
SCHEMBL9707046 0.86 POLB (0.54) PPARANPSR1TDP1POLB
SCHEMBL9707025 0.86 POLB (0.54) PPARANPSR1TDP1POLB
SCHEMBL9707109 0.85 TDP1 (0.49) PPARANPSR1ALDH1A1TDP1GAA
SCHEMBL9707053 0.82 ALDH1A1 (0.48) PPARANPSR1ALDH1A1TDP1GAA
SCHEMBL9707106 0.82 ALDH1A1 (0.48) PPARANPSR1ALDH1A1TDP1GAA
SCHEMBL9707100 0.79 POLB (0.53) PPARATDP1POLB
SCHEMBL9707024 0.79 POLB (0.53) PPARATDP1POLB
SCHEMBL9707039 0.79 PPARA (0.42) PPARAALDH1A1TDP1GAATSHR

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-0502498-A1 Phenoxyalkanoic acid derivatives and process for preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1992-09-09 EP disclosed