SCHEMBL9707045

SCHEMBL9707045

C[C@@H](Cc1ccc(OCCCC(C)(C)C(=O)O)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.55
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
BCL2 P10415 1/20 0.45
LTA4H P09960 1/20 0.45
ALDH1A1 P00352 1/20 0.43
MMP13 P45452 2/20 0.43
MMP3 P08254 1/20 0.43
ADAMTS4 O75173 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43

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
SCHEMBL9707041 1.00 PPARA (0.55) PPARAITGB3ITGA2BBCL2LTA4H
SCHEMBL9707048 0.92 ITGB3 (0.53) PPARAITGB3ITGA2BBCL2LTA4H
SCHEMBL9707051 0.92 ITGB3 (0.53) PPARAITGB3ITGA2BBCL2LTA4H
SCHEMBL9707021 0.91 ITGB3 (0.50) PPARAITGB3ITGA2BLTA4HALDH1A1
SCHEMBL9707022 0.91 ITGB3 (0.50) PPARAITGB3ITGA2BLTA4HALDH1A1
SCHEMBL9707033 0.81 PPARA (0.50) PPARAALDH1A1
SCHEMBL9707058 0.81 PPARA (0.50) PPARAALDH1A1
SCHEMBL9765248 0.81 TBXA2R (0.60) ALDH1A1MMP13ADAMTS4
SCHEMBL9765276 0.81 TBXA2R (0.60) ALDH1A1MMP13ADAMTS4
SCHEMBL9765251 0.81 TBXA2R (0.60) ALDH1A1MMP13ADAMTS4

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