SCHEMBL9707051

SCHEMBL9707051

COC(=O)C(C)(C)CCCOc1ccc(C[C@H](C)NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.53
ITGA2B P08514 4/20 0.53
PPARA Q07869 5/20 0.45
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
LTA4H P09960 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP3 P08254 1/20 0.42
MMP13 P45452 1/20 0.42
BCL2 P10415 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42

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
SCHEMBL9707048 1.00 ITGB3 (0.53) ITGB3ITGA2BPPARAALDH1A1POLB
SCHEMBL9707041 0.92 PPARA (0.55) ITGB3ITGA2BPPARAALDH1A1LTA4H
SCHEMBL9707045 0.92 PPARA (0.55) ITGB3ITGA2BPPARAALDH1A1LTA4H
SCHEMBL9707022 0.89 ITGB3 (0.50) ITGB3ITGA2BPPARAALDH1A1POLB
SCHEMBL9707021 0.89 ITGB3 (0.50) ITGB3ITGA2BPPARAALDH1A1POLB
SCHEMBL9765276 0.79 TBXA2R (0.60) ALDH1A1POLBMMP13
SCHEMBL9765251 0.79 TBXA2R (0.60) ALDH1A1POLBMMP13
SCHEMBL9765248 0.79 TBXA2R (0.60) ALDH1A1POLBMMP13
SCHEMBL9765301 0.77 ALDH1A1 (0.67) ALDH1A1POLBMMP2MMP9MMP13
SCHEMBL9765257 0.77 ALDH1A1 (0.67) ALDH1A1POLBMMP2MMP9MMP13

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